Carmen Domene
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Carmen Domenecomputer-science Degrees
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Computer Science
Carmen Domene's Degrees
- Masters Computer Science Stanford University
- Bachelors Computer Science University of California, Berkeley
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Why Is Carmen Domene Influential?
(Suggest an Edit or Addition)According to Wikipedia, Carmen Domene is a Spanish academic who is a professor of chemistry at the University of Bath. Her research makes use of computational simulations to understand biological systems and processes. She was awarded the 2020 International Society of Quantum Biology and Pharmacology Loew Award and the 2023 Royal Society of Chemistry Corday-Morgan Prize.
Carmen Domene'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
- Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases. (2009) (198)
- Pentagon adjacency as a determinant of fullerene stability (1999) (151)
- Ion channel gating: insights via molecular simulations (2003) (130)
- Two different conformational states of the KirBac3.1 potassium channel revealed by electron crystallography. (2005) (111)
- Potassium channel, ions, and water: simulation studies based on the high resolution X-ray structure of KcsA. (2003) (100)
- Dynamics of a bacterial multidrug ABC transporter in the inward- and outward-facing conformations (2012) (96)
- Conformational sampling and dynamics of membrane proteins from 10‐nanosecond computer simulations (2004) (91)
- Lipid-protein interactions of integral membrane proteins: a comparative simulation study. (2004) (91)
- Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases (2016) (86)
- Atypical mechanism of conduction in potassium channels (2009) (85)
- Oxytocin Modulates Nociception as an Agonist of Pain-Sensing TRPV1. (2017) (79)
- On Conduction in a Bacterial Sodium Channel (2012) (78)
- Binding of Capsaicin to the TRPV1 Ion Channel. (2015) (63)
- Conformational changes and gating at the selectivity filter of potassium channels. (2008) (62)
- Anionic phospholipid interactions with the potassium channel KcsA: simulation studies. (2006) (62)
- Filter flexibility and distortion in a bacterial inward rectifier K+ channel: simulation studies of KirBac1.1. (2004) (58)
- Ribonucleotide Reductase Requires Subunit Switching in Hypoxia to Maintain DNA Replication (2017) (57)
- Membrane protein simulations: ion channels and bacterial outer membrane proteins. (2003) (52)
- Antibiotic resistance and host immune evasion in Staphylococcus aureus mediated by a metabolic adaptation (2019) (52)
- Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations. (2005) (50)
- Lipid/protein interactions and the membrane/water interfacial region. (2003) (49)
- DNA-recognition process described by MD simulations of the lactose repressor protein on a specific and a non-specific DNA sequence (2013) (45)
- A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles. (2005) (44)
- Permeation and dynamics of an open-activated TRPV1 channel. (2015) (41)
- Dynamics, energetics, and selectivity of the low-K+ KcsA channel structure. (2009) (37)
- Role of aromatic localization in the gating process of a potassium channel. (2006) (37)
- Modeling of an ion channel in its open conformation. (2005) (37)
- Many-body effects and simulations of potassium channels (2009) (36)
- The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes (2016) (36)
- Bias-Exchange Metadynamics Simulations: An Efficient Strategy for the Analysis of Conduction and Selectivity in Ion Channels. (2015) (35)
- Cholesterol-Dependent Membrane Fusion Induced by the gp41 Membrane-Proximal External Region–Transmembrane Domain Connection Suggests a Mechanism for Broad HIV-1 Neutralization (2014) (34)
- Overlap-model and ab initio cluster calculations of ion properties in distorted environments (2001) (34)
- Blocking the passage: C60 geometrically clogs K(+) channels. (2015) (33)
- KcsA closed and open: modelling and simulation studies (2004) (32)
- K(+) and Na(+) conduction in selective and nonselective ion channels via molecular dynamics simulations. (2013) (32)
- The role of conformation in ion permeation in a K+ channel. (2008) (31)
- Computational studies on the interactions of inhalational anesthetics with proteins. (2010) (30)
- Computational studies of transport in ion channels using metadynamics. (2016) (30)
- Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology (2018) (30)
- Chiral Phosphine-Phosphite Ligands with a Substituted Ethane Backbone. Influence of Conformational Effects in Rhodium-Catalyzed Asymmetric Olefin Hydrogenation and Hydroformylation Reactions (2010) (30)
- Effects of the protonation state of the EEEE motif of a bacterial Na(+)-channel on conduction and pore structure. (2014) (27)
- Selectivity and permeation of alkali metal ions in K+-channels. (2011) (26)
- Antimicrobial peptide dendrimer interacts with phosphocholine membranes in a fluidity dependent manner: A neutron reflection study combined with molecular dynamics simulations. (2015) (26)
- Permeation of water through the KcsA K+ channel (2009) (26)
- Computational Studies on Polarization Effects and Selectivity in K+ Channels (2010) (25)
- Insights into the sliding movement of the lac repressor nonspecifically bound to DNA. (2010) (25)
- A perspective on structural and computational work on collagen. (2016) (25)
- Development of GoSlo-SR-5-69, a potent activator of large conductance Ca2+-activated K+ (BK) channels. (2014) (24)
- Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope (2014) (24)
- On the lack of ring-current aromaticity of (heteroatom) [N]radialenes and their dianions. (2007) (23)
- Model-based prediction of the alpha-hemolysin structure in the hexameric state. (2008) (23)
- Molecular dynamics simulations of the TrkH membrane protein. (2012) (23)
- Molecular dynamics Simulation approaches to K channels: conformational flexibility and physiological function (2005) (22)
- Application of density functional theory to calculation of in-crystal anionic polarizability (1999) (22)
- Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis. (2008) (22)
- 13C-Carbamylation as a mechanistic probe for the inhibition of class D β-lactamases by avibactam and halide ions. (2017) (20)
- Gating at the selectivity filter of ion channels that conduct Na+ and K+ ions. (2011) (20)
- 2-Oxoglutarate regulates binding of hydroxylated hypoxia-inducible factor to prolyl hydroxylase domain 2† †Electronic supplementary information (ESI) available: Details of experimental procedures and additional experiments. See DOI: 10.1039/c8cc00387d (2018) (20)
- Molecular dynamics simulations and neutron reflectivity as an effective approach to characterize biological membranes and related macromolecular assemblies. (2015) (19)
- Ion channel structures: a review of recent progress. (2003) (19)
- Effects of point mutations in pVHL on the binding of HIF‐1α (2012) (19)
- Energetics of Ion Permeation in an Open-Activated TRPV1 Channel. (2016) (19)
- Ion-triggered selectivity in bacterial sodium channels (2018) (18)
- Lateral Fenestrations in K(+)-Channels Explored Using Molecular Dynamics Simulations. (2016) (17)
- Calculation of dipole-shielding polarizabilities (sigma(alphabetagamma)I): the influence of uniform electric field effects on the shielding of backbone nuclei in proteins. (2003) (17)
- Role of Zinc and Magnesium Ions in the Modulation of Phosphoryl Transfer in Protein Tyrosine Phosphatase 1B. (2018) (17)
- Modulation of the potassium channel KcsA by anionic phospholipids: Role of arginines at the non-annular lipid binding sites. (2019) (17)
- An Integrated Mass Spectrometry and Molecular Dynamics Simulations Approach Reveals the Spatial Organization Impact of Metal-Binding Sites on the Stability of Metal-Depleted Metallothionein-2 Species (2021) (16)
- Nonselective conduction in a mutated NaK channel with three cation-binding sites. (2012) (16)
- Critical Assessment of Common Force Fields for Molecular Dynamics Simulations of Potassium Channels. (2020) (16)
- Aromaticity of anthranil and its isomers, 1,2-benzisoxazole and benzoxazole (2005) (16)
- Chemical basis for the selectivity of the von Hippel Lindau tumor suppressor pVHL for prolyl-hydroxylated HIF-1alpha. (2010) (15)
- Overlap model and ab initio cluster calculations of polarisabilities of ions in solids (1999) (15)
- Surfactin at the Water/Air Interface and in Solution. (2015) (15)
- Examining ion channel properties using free-energy methods. (2009) (14)
- In silico identification of PAP-1 binding sites in the Kv1.2 potassium channel. (2015) (14)
- 14N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs (1999) (13)
- Molecular dynamics simulations of potassium channels (2007) (12)
- Membrane Phase-Dependent Occlusion of Intramolecular GLUT1 Cavities Demonstrated by Simulations. (2017) (12)
- Partition coefficients of indoles and betacarbolines. (1997) (12)
- Anatomy of a simple acyl intermediate in enzyme catalysis: combined biophysical and modeling studies on ornithine acetyl transferase. (2009) (12)
- Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods. (2018) (11)
- A transferable representation of the induced multipoles in ionic crystals (2002) (11)
- Strong and weak zinc binding sites in human zinc‐α2‐glycoprotein (2013) (11)
- Mechanism of molecular oxygen diffusion in a hypoxia sensing prolyl hydroxylase using multiscale simulation. (2020) (11)
- Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields (2020) (10)
- Ion Conduction Mechanism as a Fingerprint of Potassium Channels. (2021) (10)
- The ligand-bound state of a G protein-coupled receptor stabilizes the interaction of functional cholesterol molecules (2021) (10)
- Influence of Cholesterol and Its Stereoisomers on Members of the Serotonin Receptor Family. (2019) (8)
- Nuclear Quadrupole Coupling of 17O and 33S in Ionic Solids: Invalidation of the Sternheimer Model by Short-Range Corrections (2002) (7)
- Stereospecific Interactions of Cholesterol in a Model Cell Membrane: Implications for the Membrane Dipole Potential (2018) (7)
- Dipole-induced-dipole polarizabilities of symmetric clusters (2000) (7)
- Affinity for the Interface Underpins Potency of Antibodies Operating In Membrane Environments (2020) (6)
- Location and Character of Volatile General Anesthetics Binding Sites in the Transmembrane Domain of TRPV1. (2018) (6)
- Voltage-Gated Sodium Channels: Mechanistic Insights From Atomistic Molecular Dynamics Simulations. (2016) (6)
- Combining Structural Data with Computational Methodologies to Investigate Structure-Function Relationships in TRP Channels. (2019) (5)
- DNA recognition process of the lactose repressor protein studied via metadynamics and umbrella sampling simulations. (2014) (5)
- Exposure of the HIV-1 broadly neutralizing antibody 10E8 MPER epitope on the membrane surface by gp41 transmembrane domain scaffolds. (2018) (5)
- Exploring the Dynamics of the TWIK-1 Channel (2016) (4)
- Structure based analysis of KATP channel with a DEND syndrome mutation in murine skeletal muscle (2021) (4)
- Computational Biophysics of Membrane Proteins (2016) (4)
- On ionic conduction in potassium channels (2010) (3)
- Differential Stability of Aurein 1.2 Pores in Model Membranes of Two Probiotic Strains (2020) (3)
- Multiple Interactions of Glucose with the Extra-Membranous Loops of GLUT1 Aid Transport (2021) (3)
- Structural and biochemical analyses reveal how ornithine acetyl transferase binds acidic and basic amino acid substrates. (2011) (3)
- The Bilayer Collective Properties Govern the Interaction of an HIV-1 Antibody with the Viral Membrane. (2019) (3)
- Simulating the pyrolysis of polyazides: a mechanistic case study of the [[P(N3)6]- anion. (2013) (3)
- Insights into the mechanisms of K+ permeation in K+-channels from computer simulations. (2019) (3)
- Selective Anticancer Therapy Based on a HA-CD44 Interaction Inhibitor Loaded on Polymeric Nanoparticles (2022) (2)
- Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau Suppressor. (2015) (2)
- LARGE SCALE BIOMOLECULAR SIMULATIONS : CURRENT STATUS AND FUTURE PROSPECTS (2003) (2)
- Effect of anionic lipids on ion permeation through the KcsA K+-channel. (2020) (2)
- Voltage-sensor cycle fully described (2012) (2)
- Investigating open pore structure: Essential dynamics sampling of motions performed by the inner S6 helix bundle in KirBac. (2005) (1)
- Modulation of Membrane Proteins by Lipids (2018) (1)
- Functional mapping of the N-terminal arginine cluster and C-terminal acidic residues of Kir6.2 channel fused to a G protein-coupled receptor. (2017) (1)
- Conduction and Selectivity in Na+ Channels Analyzed by Bias-Exchange Metadynamics Simulations (2015) (1)
- A Potential Route of Capsaicin to Its Binding Site in the TRPV1 Ion Channel (2022) (1)
- Early Steps in C-Type Inactivation of the hERG Potassium Channel (2022) (1)
- Computational Characterisation of the Modulation of Membrane Proteins by Lipids (2017) (0)
- Regulation of KcsA by Anionic Phospholipids (2019) (0)
- Chapter 2: Molecular Dynamics Simulations: Principles and Applications for the Study of Membrane Proteins (2016) (0)
- Computer Simulations of Membrane Proteins (2017) (0)
- Minireview Ion channel gating: insights via molecular simulations (2003) (0)
- Membrane phase dependent occlusion of intramolecular GLUT1 cavities demonstrated by atomistic simulations (2017) (0)
- 1 Voltage-gated sodium channels : mechanistic insights from atomistic molecular dynamics simulations (2016) (0)
- Oxytocin Modulates Nociception as a Direct Agonist of Pain-Sensing TRPV1 (2018) (0)
- Redox regulation of KV7 channels through EF3 hand of calmodulin (2022) (0)
- Broad HIV-1 Neutralization Connection Suggests a Mechanism for Transmembrane Domain − External Region Induced by the gp 41 Membrane-Proximal Cholesterol-Dependent Membrane Fusion (2014) (0)
- Anti-HIV antibody-lipid interactions enhance affinity for the native Env glycoprotein as revealed by single virion STED microscopy (2019) (0)
- Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology (2018) (0)
- Chapter 10:Novel Insights into Membrane Transport from Computational Methodologies (2017) (0)
- A Multiscale Model To Analyze the Sliding Movement of Repressor Proteins on DNA (2010) (0)
- Computational Approaches to the Study of TRPV Channel Activation and Modulation (2017) (0)
- Permeation and gating in KirBac: Molecular dynamics simulations (2004) (0)
- Fusogenic Activity of the HIV-1 Gp41 MPER-TMD Region: Mechanism and Targeting by Immunogens and Inhibitors (2013) (0)
- Ion conduction mechanism as a fingerprint of potassium channels (2022) (0)
- Lateral fenestrations in K + -channels explored using MD simulations (2016) (0)
- The Gp41 Sequence Connecting Mper and Tm Domains Constitutes a Distinct HIV-1 “Fusion Peptide” Targeted by Neutralizing Antibodies (2014) (0)
- Stereospecific Interactions of Cholesterol in a Model Cell Membrane: Implications for the Membrane Dipole Potential (2018) (0)
- On Conduction and Gating in K+-Channels (2011) (0)
- On Conduction and Permeation in a Bacterial Sodium Channel (2013) (0)
- Location and character of volatile general anesthetics binding sites in the vallinoid receptor (2019) (0)
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