Valerie Daggett
#36,850
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American biochemist
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Valerie Daggettbiology Degrees
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Biochemistry
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Biology
Valerie Daggett's Degrees
- PhD Biochemistry University of California, Berkeley
- Bachelors Chemistry Stanford University
Why Is Valerie Daggett Influential?
(Suggest an Edit or Addition)According to Wikipedia, Valerie Daggett is a professor of bioengineering at the University of Washington in Seattle, Washington, United States. Education and career Daggett has a B.S. from Reed College. She received her Ph.D. from the University of California, San Francisco, advised by Irwin Kuntz and Peter Kollman, and subsequently held a postdoctoral position at Stanford University with Michael Levitt, a co-recipient of the 2013 Nobel Prize in Chemistry.
Valerie Daggett's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- The molecular basis for the chemical denaturation of proteins by urea (2003) (737)
- Protein Folding and Unfolding at Atomic Resolution (2002) (460)
- Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution (1997) (459)
- The complete folding pathway of a protein from nanoseconds to microseconds (2003) (450)
- Is there a unifying mechanism for protein folding? (2003) (448)
- Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution (1995) (426)
- The molecular mechanism of stabilization of proteins by TMAO and its ability to counteract the effects of urea. (2002) (383)
- The present view of the mechanism of protein folding (2003) (372)
- From conversion to aggregation: protofibril formation of the prion protein. (2004) (315)
- Increasing temperature accelerates protein unfolding without changing the pathway of unfolding. (2002) (296)
- Counteraction of urea-induced protein denaturation by trimethylamine N-oxide: a chemical chaperone at atomic resolution. (2004) (283)
- Protein folding and unfolding in microseconds to nanoseconds by experiment and simulation. (2000) (235)
- Characterization of the transition state of protein unfolding by use of molecular dynamics: chymotrypsin inhibitor 2. (1994) (229)
- Structure of the transition state for folding of a protein derived from experiment and simulation. (1996) (226)
- Distance restraints from crosslinking mass spectrometry: Mining a molecular dynamics simulation database to evaluate lysine–lysine distances (2014) (225)
- Can non-mechanical proteins withstand force? Stretching barnase by atomic force microscopy and molecular dynamics simulation. (2001) (223)
- Unifying features in protein-folding mechanisms (2003) (221)
- Identification and characterization of the unfolding transition state of chymotrypsin inhibitor 2 by molecular dynamics simulations. (1996) (216)
- Selective Neuronal Targeting in Prion Disease (1997) (206)
- Methods for molecular dynamics simulations of protein folding/unfolding in solution. (2004) (202)
- The molecular basis for the inverse temperature transition of elastin. (2001) (191)
- Molecular dynamics simulations of helix denaturation. (1992) (188)
- Protein folding from a highly disordered denatured state: The folding pathway of chymotrypsin inhibitor 2 at atomic resolution (2001) (164)
- Towards a complete description of the structural and dynamic properties of the denatured state of barnase and the role of residual structure in folding. (2000) (159)
- Protein unfolding pathways explored through molecular dynamics simulations. (1993) (157)
- Mapping the early steps in the pH-induced conformational conversion of the prion protein (2001) (154)
- A model of the molten globule state from molecular dynamics simulations. (1992) (150)
- A consensus view of fold space: Combining SCOP, CATH, and the Dali Domain Dictionary (2003) (150)
- Protein folding-simulation. (2006) (149)
- Hydrophobic hydration is an important source of elasticity in elastin-based biopolymers. (2001) (148)
- The prion folding problem. (1997) (146)
- Dynameomics: a comprehensive database of protein dynamics. (2010) (139)
- Ultrafast folding of α3D: A de novo designed three-helix bundle protein (2003) (138)
- Cutoff size need not strongly influence molecular dynamics results for solvated polypeptides. (2005) (133)
- Realistic simulations of native-protein dynamics in solution and beyond. (1993) (126)
- Molecular dynamics simulations of the protein unfolding/folding reaction. (2002) (124)
- Mapping the interactions present in the transition state for unfolding/folding of FKBP12. (1999) (124)
- Testing protein-folding simulations by experiment: B domain of protein A. (2004) (122)
- The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR (2003) (121)
- Insights from molecular dynamics simulations for computational protein design. (2017) (118)
- PrPc glycoform heterogeneity as a function of brain region: implications for selective targeting of neurons by prion strains. (1999) (118)
- The intrinsic conformational propensities of the 20 naturally occurring amino acids and reflection of these propensities in proteins (2008) (118)
- Pauling and Corey's alpha-pleated sheet structure may define the prefibrillar amyloidogenic intermediate in amyloid disease. (2004) (118)
- Molecular basis for the extensibility of elastin (2004) (115)
- Staphylococcal protein A: unfolding pathways, unfolded states, and differences between the B and E domains. (2000) (115)
- Characterization of residual structure in the thermally denatured state of barnase by simulation and experiment: description of the folding pathway. (1997) (112)
- Pathogenic mutations in the hydrophobic core of the human prion protein can promote structural instability and misfolding. (2010) (109)
- Long timescale simulations. (2000) (107)
- Synergy between simulation and experiment in describing the energy landscape of protein folding. (1998) (107)
- Combining experiment and simulation in protein folding: closing the gap for small model systems. (2008) (106)
- Molecular dynamics simulation of the unfolding of barnase: characterization of the major intermediate. (1998) (104)
- The dynameomics rotamer library: Amino acid side chain conformations and dynamics from comprehensive molecular dynamics simulations in water (2011) (96)
- Demonstration of a low-energy on-pathway intermediate in a fast-folding protein by kinetics, protein engineering, and simulation. (2004) (96)
- Φ-Analysis at the Experimental Limits: Mechanism of β-Hairpin Formation (2006) (94)
- Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B. (2009) (91)
- Molecular dynamics simulations of protein unfolding and limited refolding: characterization of partially unfolded states of ubiquitin in 60% methanol and in water. (1995) (91)
- Interactions within the Coiled-coil Domain of RetGC-1 Guanylyl Cyclase Are Optimized for Regulation Rather than for High Affinity* (2001) (90)
- The role of α‐, 310‐, and π‐helix in helix→coil transitions (2003) (87)
- Formation of ice-like water structure on the surface of an antifreeze protein. (2008) (86)
- Molecular dynamics simulations of hydrophobic collapse of ubiquitin (1998) (85)
- Catalytic pathway of serine proteases: classical and quantum mechanical calculations (1991) (83)
- Molecular mechanism for low pH triggered misfolding of the human prion protein. (2007) (83)
- α-Sheet secondary structure in amyloid β-peptide drives aggregation and toxicity in Alzheimer’s disease (2019) (83)
- α-Sheet: The Toxic Conformer in Amyloid Diseases? (2006) (82)
- Conformational entropy of alanine versus glycine in protein denatured states (2007) (81)
- The consequences of pathogenic mutations to the human prion protein. (2009) (81)
- Molecular dynamics simulations of small peptides: Dependence on dielectric model and pH (1991) (76)
- Loss of a metal-binding site in gelsolin leads to familial amyloidosis–Finnish type (2002) (75)
- Structural properties of prion protein protofibrils and fibrils: an experimental assessment of atomic models. (2006) (73)
- Influence of pH on the human prion protein: insights into the early steps of misfolding. (2010) (73)
- Characterization of a possible amyloidogenic precursor in glutamine-repeat neurodegenerative diseases. (2005) (70)
- A comparison of multiscale methods for the analysis of molecular dynamics simulations. (2012) (68)
- Preventing misfolding of the prion protein by trimethylamine N-oxide. (2004) (68)
- Dynameomics: mass annotation of protein dynamics and unfolding in water by high-throughput atomistic molecular dynamics simulations. (2008) (67)
- Structural changes to monomeric CuZn superoxide dismutase caused by the familial amyotrophic lateral sclerosis-associated mutation A4V. (2009) (67)
- Anatomy of an Amyloidogenic Intermediate: Conversion of β-Sheet to α-Sheet Structure in Transthyretin at Acidic pH (2004) (66)
- Ensemble versus single-molecule protein unfolding. (2005) (64)
- Analysis methods for comparison of multiple molecular dynamics trajectories: applications to protein unfolding pathways and denatured ensembles. (1999) (64)
- Protein folds and protein folding. (2011) (63)
- Protein folding and binding: moving into unchartered territory. (2009) (63)
- Simulation and experiment conspire to reveal cryptic intermediates and a slide from the nucleation-condensation to framework mechanism of folding. (2005) (61)
- Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations. (2007) (61)
- Dynameomics: Large‐scale assessment of native protein flexibility (2008) (61)
- The structure of the major transition state for folding of an FF domain from experiment and simulation. (2005) (59)
- Barstar has a highly dynamic hydrophobic core: evidence from molecular dynamics simulations and nuclear magnetic resonance relaxation data. (1998) (58)
- Combined Molecular Dynamics and Φ-Value Analysis of Structure−Reactivity Relationships in the Transition State and Unfolding Pathway of Barnase: Structural Basis of Hammond and Anti-Hammond Effects (1998) (58)
- All-atom simulations of protein folding and unfolding. (2003) (57)
- Designed α-sheet peptides inhibit amyloid formation by targeting toxic oligomers (2014) (54)
- Local environmental effects on the structure of the prion protein. (2005) (54)
- Using simulations to provide the framework for experimental protein folding studies. (2013) (53)
- Validating Molecular Dynamics Simulations against Experimental Observables in Light of Underlying Conformational Ensembles. (2018) (51)
- The folding pathway of spectrin R17 from experiment and simulation: using experimentally validated MD simulations to characterize States hinted at by experiment. (2006) (50)
- pH-dependent conformations of the amyloid beta(1-28) peptide fragment explored using molecular dynamics. (1995) (50)
- The effects of disulfide bonds on the denatured state of barnase (2000) (50)
- Microscopic reversibility of protein folding in molecular dynamics simulations of the engrailed homeodomain. (2008) (50)
- Direct observation of microscopic reversibility in single-molecule protein folding. (2007) (50)
- Protein folding↔unfolding dynamics (1994) (49)
- Simulations of the structural and dynamical properties of denatured proteins: the "molten coil" state of bovine pancreatic trypsin inhibitor. (1998) (49)
- Non-native interactions in protein folding intermediates: molecular dynamics simulations of hen lysozyme. (1998) (48)
- Sensitivity of the folding/unfolding transition state ensemble of chymotrypsin inhibitor 2 to changes in temperature and solvent (2005) (47)
- Dynameomics: a multi-dimensional analysis-optimized database for dynamic protein data. (2008) (47)
- Simulations of biomolecules: characterization of the early steps in the pH-induced conformational conversion of the hamster, bovine and human forms of the prion protein (2002) (47)
- Molecular dynamics simulation of cytochrome b5: implications for protein-protein recognition. (1995) (47)
- Simulation and experiment at high temperatures: ultrafast folding of a thermophilic protein by nucleation-condensation. (2005) (46)
- The molecular basis of the temperature- and pH-induced conformational transitions in elastin-based peptides. (2003) (46)
- Dynameomics: design of a computational lab workflow and scientific data repository for protein simulations. (2008) (45)
- Diverse effects on the native β-sheet of the human prion protein due to disease-associated mutations. (2010) (43)
- Peptides Composed of Alternating L- and D-Amino Acids Inhibit Amyloidogenesis in Three Distinct Amyloid Systems Independent of Sequence. (2016) (41)
- The Denatured State Dictates the Topology of Two Proteins with Almost Identical Sequence but Different Native Structure and Function* (2010) (41)
- Molecular basis for the structural instability of human DJ-1 induced by the L166P mutation associated with Parkinson's disease. (2008) (41)
- Investigation of the solution structure of chymotrypsin inhibitor 2 using molecular dynamics: comparison to x-ray crystallographic and NMR data. (1995) (40)
- A comparison of the AM1 and PM3 semiempirical models for evaluating model compounds relevant to catalysis by serine proteases (1991) (40)
- Structural and functional consequences of the cardiac troponin C L48Q Ca2+-sensitizing mutation (2012) (39)
- Temperature dependence of the flexibility of thermophilic and mesophilic flavoenzymes of the nitroreductase fold. (2010) (39)
- Characterization of cell‐surface prion protein relative to its recombinant analogue: insights from molecular dynamics simulations of diglycosylated, membrane‐bound human prion protein (2009) (39)
- The V108M mutation decreases the structural stability of catechol O-methyltransferase. (2008) (39)
- The role of the turn in β‐hairpin formation during WW domain folding (2007) (38)
- A microscopic view of peptide and protein solvation. (2002) (38)
- Direct comparison of experimental and calculated folding free energies for hydrophobic deletion mutants of chymotrypsin inhibitor 2: free energy perturbation calculations using transition and denatured states from molecular dynamics simulations of unfolding. (2001) (38)
- Diffusing and colliding: the atomic level folding/unfolding pathway of a small helical protein. (2004) (37)
- The role of alpha-, 3(10)-, and pi-helix in helix-->coil transitions. (2003) (37)
- Alpha-sheet: The toxic conformer in amyloid diseases? (2006) (36)
- DIVE: A Graph-Based Visual-Analytics Framework for Big Data (2014) (35)
- Structural effects of the L145Q, V157F, and R282W cancer-associated mutations in the p53 DNA-binding core domain. (2011) (35)
- Characterization of two distinct beta2-microglobulin unfolding intermediates that may lead to amyloid fibrils of different morphology. (2005) (34)
- Phi-analysis at the experimental limits: mechanism of beta-hairpin formation. (2006) (34)
- Characterization of the unfolding pathway of the cell-cycle protein p13suc1 by molecular dynamics simulations: implications for domain swapping. (2000) (34)
- Ultrafast folding of alpha3D: a de novo designed three-helix bundle protein. (2003) (33)
- New Dynamic Rotamer Libraries: Data-Driven Analysis of Side-Chain Conformational Propensities. (2016) (33)
- Theoretical studies of sequence effects on the conformational properties of a fragment of the prion protein: implications for scrapie formation. (1995) (33)
- Probing the energy landscape of protein folding/unfolding transition states. (2002) (32)
- Understanding protein unfolding from molecular simulations (2012) (32)
- Protein Engineering Reveals Mechanisms of Functional Amyloid Formation in Pseudomonas aeruginosa Biofilms. (2018) (32)
- Generation of a consensus protein domain dictionary (2011) (32)
- Folding and binding: implementing the game plan (2007) (31)
- Four human thiopurine s-methyltransferase alleles severely affect protein structure and dynamics. (2008) (31)
- Structural and dynamic properties of the human prion protein. (2014) (31)
- Nature versus design: the conformational propensities of D-amino acids and the importance of side chain chirality. (2014) (31)
- Testing the Modified Hydration-Shell Hydrogen-Bond Model of Hydrophobic Effects Using Molecular Dynamics Simulation (1996) (31)
- The 108M polymorph of human catechol O-methyltransferase is prone to deformation at physiological temperatures. (2006) (30)
- GB1 is not a two-state folder: identification and characterization of an on-pathway intermediate. (2011) (30)
- Dynameomics: a consensus view of the protein unfolding/folding transition state ensemble across a diverse set of protein folds. (2009) (29)
- A comprehensive multidimensional-embedded, one-dimensional reaction coordinate for protein unfolding/folding. (2010) (28)
- Molecular dynamics simulations of apocytochrome b562--the highly ordered limit of molten globules. (1996) (28)
- Molecular Dynamics Simulations Capture the Misfolding of the Bovine Prion Protein at Acidic pH (2014) (28)
- Structural consequences of mutations to the α-tocopherol transfer protein associated with the neurodegenerative disease ataxia with vitamin E deficiency. (2013) (28)
- Molecular dynamics as an approach to study prion protein misfolding and the effect of pathogenic mutations. (2011) (27)
- Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations. (2005) (27)
- Structural and functional consequences of the cardiac troponin C L48Q Ca(2+)-sensitizing mutation. (2012) (27)
- Designed α-sheet peptides suppress amyloid formation in Staphylococcus aureus biofilms (2017) (27)
- Protein Folding—Simulation (2006) (27)
- Simulations of macromolecules in protective and denaturing osmolytes: properties of mixed solvent systems and their effects on water and protein structure and dynamics. (2007) (27)
- Structural and functional diversity among amyloid proteins: Agents of disease, building blocks of biology, and implications for molecular engineering (2017) (25)
- Side-chain dynamics are critical for water permeation through aquaporin-1. (2008) (25)
- Altering Diffusivity in Biological Solutions through Modification of Solution Structure and Dynamics (1998) (25)
- The early steps in the unfolding of azurin. (2004) (25)
- Designed Trpzip-3 β-Hairpin Inhibits Amyloid Formation in Two Different Amyloid Systems. (2013) (24)
- Protein conformation and diagnostic tests: the prion protein. (2002) (24)
- Structural and functional consequences of cardiac troponin C L57Q and I61Q Ca(2+)-desensitizing variants. (2013) (24)
- Refolding the engrailed homeodomain: structural basis for the accumulation of a folding intermediate. (2010) (24)
- Folding mechanisms of proteins with high sequence identity but different folds. (2007) (24)
- A hotspot of inactivation: The A22S and V108M polymorphisms individually destabilize the active site structure of catechol O-methyltransferase. (2009) (24)
- The R46Q, R131Q and R154H polymorphs of human DNA glycosylase/beta-lyase hOgg1 severely distort the active site and DNA recognition site but do not cause unfolding. (2009) (23)
- Structural consequences of heme removal: molecular dynamics simulations of rat and bovine apocytochrome b5. (1996) (23)
- A one-dimensional reaction coordinate for identification of transition states from explicit solvent P(fold)-like calculations. (2007) (23)
- Malleability of folding intermediates in the homeodomain superfamily (2011) (22)
- The histamine N-methyltransferase T105I polymorphism affects active site structure and dynamics. (2008) (21)
- Different disease-causing mutations in transthyretin trigger the same conformational conversion. (2008) (21)
- Importance of context in protein folding: secondary structural propensities versus tertiary contact-assisted secondary structure formation. (2006) (21)
- Molecular Dynamics Simulations of the Protein Unfolding/Folding Reaction (2002) (20)
- Anatomy of an amyloidogenic intermediate: conversion of beta-sheet to alpha-sheet structure in transthyretin at acidic pH. (2004) (20)
- Visualizing Protein Folding and Unfolding. (2019) (20)
- Manifestations of native topology in the denatured state ensemble of Rhodopseudomonas palustris cytochrome c'. (2011) (19)
- A molecular dynamics simulation of the C-terminal fragment of the L7/L12 ribosomal protein in solution (1991) (19)
- Cardiac myosin activation with 2-deoxy-ATP via increased electrostatic interactions with actin (2019) (19)
- The relationship between water bridges and the polyproline II conformation: a large-scale analysis of molecular dynamics simulations and crystal structures. (2010) (19)
- Engineering out motion: introduction of a de novo disulfide bond and a salt bridge designed to close a dynamic cleft on the surface of cytochrome b5. (1999) (19)
- Simulations and computational analyses of prion protein conformations. (2001) (19)
- Early steps in thermal unfolding of superoxide dismutase 1 are similar to the conformational changes associated with the ALS-associated A4V mutation. (2013) (19)
- Chemical and Physical Variability in Structural Isomers of an l/d α-Sheet Peptide Designed To Inhibit Amyloidogenesis. (2017) (18)
- Free energy component analysis: a study of the glutamic acid 165 .fwdarw. aspartic acid 165 mutation in triosephosphate isomerase (1989) (18)
- De Novo Designed α-Sheet Peptides Inhibit Functional Amyloid Formation of Streptococcus mutans Biofilms. (2018) (17)
- Different misfolding mechanisms converge on common conformational changes (2014) (17)
- DIVE: a data intensive visualization engine (2014) (17)
- Myosin dynamics during relaxation in mouse soleus muscle and modulation by 2′‐deoxy‐ATP (2020) (17)
- A Chemical Group Graph Representation for Efficient High-Throughput Analysis of atomistic protein Simulations (2012) (17)
- Structure-function aspects of prion proteins. (1998) (17)
- Multimolecule test-tube simulations of protein unfolding and aggregation (2012) (16)
- Stabilization of globular proteins via introduction of temperature-activated elastin-based switches. (2002) (15)
- Species variation in PrPSc protofibril models (2008) (15)
- An in silico algorithm for identifying stabilizing pockets in proteins: test case, the Y220C mutant of the p53 tumor suppressor protein. (2016) (15)
- Sequence effects on the conformational properties of the amyloid beta (1-28) peptide: testing a proposed mechanism for the alpha-->beta transition. (1995) (15)
- The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space. (2017) (14)
- Engineering out motion: a surface disulfide bond alters the mobility of tryptophan 22 in cytochrome b5 as probed by time-resolved fluorescence and 1H NMR experiments. (1999) (14)
- Molecular dynamics simulations of active site mutants of triosephosphate isomerase. (1990) (13)
- The effect of chirality and steric hindrance on intrinsic backbone conformational propensities: tools for protein design. (2016) (12)
- The role of the turn in beta-hairpin formation during WW domain folding. (2007) (11)
- Conformational search using a molecular dynamics–minimization procedure: Applications to clusters of coulombic charges, Lennard–Jones particles, and waters (1998) (11)
- Protein simulation data in the relational model (2012) (11)
- Polymorphisms and disease: hotspots of inactivation in methyltransferases. (2010) (11)
- NMR studies of the association of cytochrome b5 with cytochrome c. (2000) (11)
- The V119I polymorphism in protein L-isoaspartate O-methyltransferase alters the substrate-binding interface. (2009) (11)
- Disruption of the X-loop turn of the prion protein linked to scrapie resistance. (2012) (10)
- Molecular dynamics simulations of protein unfolding/folding. (2001) (10)
- Dynameomics: Data‐driven methods and models for utilizing large‐scale protein structure repositories for improving fragment‐based loop prediction (2014) (10)
- Wavelet Analysis of protein Motion (2012) (10)
- Insights into Unfolded Proteins from the Intrinsic ϕ/ψ Propensities of the AAXAA Host-Guest Series. (2016) (9)
- Simulations of membrane‐bound diglycosylated human prion protein reveal potential protective mechanisms against misfolding (2017) (9)
- Drivers of α-sheet formation in transthyretin under amyloidogenic conditions. (2019) (9)
- Promiscuous contacts and heightened dynamics increase thermostability in an engineered variant of the engrailed homeodomain. (2013) (9)
- When a domain is not a domain, and why it is important to properly filter proteins in databases (2012) (9)
- Edge strand dissociation and conformational changes in transthyretin under amyloidogenic conditions. (2020) (9)
- A Model for the Molten Globule State of CTF Generated Using Molecular Dynamics (1993) (8)
- A temperature‐dependent conformational change of NADH oxidase from Thermus thermophilus HB8 (2012) (7)
- Molecular mechanisms underlying deoxy‐ADP.Pi activation of pre‐powerstroke myosin (2017) (7)
- Amyloid- β Oligomers: Multiple Moving Targets (2022) (7)
- SOBA: Development and testing of a soluble oligomer binding assay for detection of amyloidogenic toxic oligomers. (2022) (6)
- The Role of α-sheet in Amyloid Oligomer Aggregation and Toxicity (2018) (6)
- Conformational changes below the Tm: molecular dynamics studies of the thermal pretransition of ribonuclease A. (2008) (6)
- Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection (2011) (6)
- 2-deoxy-ATP Alters Myosin Structure to Enhance Cross-Bridge Cycling and Improve Cardiac Function (2013) (5)
- The role of -, 3 10 -, and -helix in helixcoil transitions (2003) (4)
- Conserved patterns and interactions in the unfolding transition state across SH3 domain structural homologues (2020) (4)
- Modulation of post-powerstroke dynamics in myosin II by 2'-deoxy-ADP. (2020) (3)
- Dynameomics: protein dynamics and unfolding across fold space (2010) (3)
- ReviewProtein Folding and Unfolding at Atomic Resolution (2002) (3)
- The effect of context on the folding of β-hairpins. (2011) (3)
- A Carboxylate to Amide Substitution That Switches Protein Folds. (2018) (3)
- Improvement of the soy formate dehydrogenase properties by rational design (2015) (3)
- Introduction to special issue 'Three decades of protein engineering: impact on structural biology and therapy'. (2011) (2)
- Molecular dynamics-derived rotamer libraries for D-amino acids within homochiral and heterochiral polypeptides (2018) (2)
- Protein Dynamics: A Theoretical Perspective (1997) (2)
- The prion folding problem . Review article (1998) (2)
- Tumorigenic p53 mutants undergo common structural disruptions including conversion to α‐sheet structure (2020) (2)
- Author response: Designed α-sheet peptides inhibit amyloid formation by targeting toxic oligomers (2014) (1)
- Analyzing Disease-Associated Protein Structures with Visual Analytics (2013) (1)
- Shedding light on amyloidosis with protein engineering. (2009) (1)
- Validation of protein-unfolding transition states identified in molecular dynamics simulations. (2001) (1)
- The application of computational methods to the study of enzyme catalysis by triose-phosphate isomerase and stabilities of variants of bacteriophage T4 lysozyme. (1991) (1)
- Shared unfolding pathways of unrelated immunoglobulin-like β-sandwich proteins. (2019) (1)
- The conformational consequences of mutations to the H1 helix of the prion protein explored by molecular dynamics simulations (1996) (1)
- Peter Kollman (2001) (1)
- Modeling Protein Folding Pathways (2015) (1)
- Two-dimensional gel electrophoresis of liver microsomal proteins from rats treated with 2,3,7,8-tetrachlorodibenzo-p-dioxin 3-methylcholanthrene, and phenobarbital (1989) (0)
- Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 (2010) (0)
- Protein function, folding, and dynamics in the proteinomic era (2003) (0)
- STAPHYLOCOCCAL PROTEIN A, B-DOMAIN, Y15W MUTANT, NMR, 25 STRUCTURES (2004) (0)
- Drivers of Conformational Variability in Transthyretin Monomers under Amyloidogenic Conditions (2018) (0)
- A Carboxylate to Amide Substitution That Switches Protein Folds (2018) (0)
- Cross-Species Dynamics of Myosin in Pre-Powerstroke States (2020) (0)
- Molecular Dynamics Methods for Antibody Design. (2023) (0)
- Time-Resolved X-Ray Diffraction and Molecular Dynamics Studies of Skeletal Muscle Relaxation with 2 Deoxy-ATP (2019) (0)
- Molecular Dynamics Studies of Myosin Structure with 2-Deoxy-ADP (2019) (0)
- Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 (2010) (0)
- Solution structure of an alpha sheet hairpin peptide (2019) (0)
- Promiscuous Contacts and Heightened Dynamics Increase Thermostability in an Engineered Variant of the Engrailed Homeodomain (2017) (0)
- The folding of proteins and nucleic acids (2012) (0)
- Determining the Molecular Basis of Disease in Single Nucleotide Polymorphism Variants using Wavelet Analysis (2010) (0)
- The role of α-sheet structure in amyloidogenesis: characterization and implications (2022) (0)
- Importance of Protein Context on the Unfolding Pathways of β-hairpins (2010) (0)
- Towards Characterization of Protein Folding/Unfolding at Atomic Resolution (2000) (0)
- 1H, 13C and 15N chemical shifts of bovine ferric cytochrome b5 in complex with horse heart ferric cytochrome c (2000) (0)
- Human Gelsolin Domain 2 with a Cd2+ bound (2002) (0)
- Designed α-sheet peptides suppress amyloid formation in Staphylococcus aureus biofilms (2017) (0)
- Introduction of Temperature-Sensitive Elastin-Based Switches to Stabilize Globular Proteins (2001) (0)
- Mutations that Alter cTnC Ca2+ Binding Affect Interactions with cTnI and Cardiomyocyte Contraction (2011) (0)
- Simulation of Protein Structure, Dynamics and Function in Organic Media. (1998) (0)
- Molecular dynamics simulations of protein dynamics, unfolding and misfolding (2007) (0)
- Protein Modeling: Folding ↔ Unfolding Dynamics (2002) (0)
- YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant (2001) (0)
- dATP Reduces the Depressive Effect of Acidosis on Cardiac and Slow Twitch Skeletal Muscle (2019) (0)
- Nucleotide-Dependent Allosteric Communication in Myosin (2020) (0)
- Conformational search using a molecular dynamics-minimization procedure: Applications to clusters of coulombic charges, Lennard-Jones particles, and waters (1998) (0)
- Protein simulation data in the relational model (2011) (0)
- Effects of Cardiac TnC Variants on cTnC-cTnI Interaction;Solution and Molecular Dynamics Simulation Studies (2010) (0)
- Identification of Multiple Folding Pathways Shared by Three-Helix Bundle Proteins (2010) (0)
- Mining mountains of data: organizing all atom molecular dynamics protein simulation data into sql and olap cubes (2011) (0)
- Molecular Dynamics Simulations of Consensus Tetratricopeptide Repeat Proteins (2010) (0)
- Simulation of Protein and Peptide-Based Biomaterials (2002) (0)
- 3.1 Combining Simulation and Experiment to Map Protein Folding (2012) (0)
- Protein Structure and Biology (2013) (0)
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