Jim Pfaendtner
#149,409
Most Influential Person Now
Chemical engineering professor
Jim Pfaendtner's AcademicInfluence.com Rankings
Jim Pfaendtnerchemistry Degrees
Chemistry
#5158
World Rank
#6288
Historical Rank
#955
USA Rank
Chemical Engineering
#729
World Rank
#749
Historical Rank
#121
USA Rank
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Chemistry
Jim Pfaendtner's Degrees
- PhD Chemical Engineering University of California, Berkeley
- Masters Chemical Engineering University of California, Berkeley
- Bachelors Chemical Engineering University of California, Berkeley
Why Is Jim Pfaendtner Influential?
(Suggest an Edit or Addition)According to Wikipedia, Jim Pfaendtner is an American chemical engineer. He is currently serving as the Dean for the College of Engineering at NC State University. He was the Steve and Connie Rogel Professor and chair of chemical engineering and professor of chemistry at the University of Washington. He additionally served as the associate vice provost for research computing. Pfaendtner is also staff scientist at the Pacific Northwest National Laboratory. Beginning August 1, 2023, Pfaendtner will be the Louis Martin-Vega Dean of the college of engineering at North Carolina State University.
Jim Pfaendtner'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
- Promoting transparency and reproducibility in enhanced molecular simulations (2019) (437)
- The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids. (2015) (231)
- Ice-nucleating bacteria control the order and dynamics of interfacial water (2016) (157)
- The 1-D hindered rotor approximation (2007) (148)
- A systematic methodology for defining coarse-grained sites in large biomolecules. (2008) (143)
- Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics. (2015) (135)
- Systematic multiscale parameterization of heterogeneous elastic network models of proteins. (2008) (129)
- Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble. (2012) (112)
- Trimethylamine N-oxide–derived zwitterionic polymers: A new class of ultralow fouling bioinspired materials (2019) (111)
- Nucleotide-dependent conformational states of actin (2009) (111)
- Exhaustively sampling peptide adsorption with metadynamics. (2013) (99)
- Actin filament remodeling by actin depolymerization factor/cofilin (2010) (90)
- Lexicography of kinetic modeling of complex reaction networks (2005) (86)
- Tuning crystallization pathways through sequence engineering of biomimetic polymers. (2017) (82)
- Structure, dynamics, and activity of xylanase solvated in binary mixtures of ionic liquid and water. (2013) (78)
- Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network models. (2009) (78)
- Millisecond Pulsed Films Unify the Mechanisms of Cellulose Fragmentation (2016) (75)
- Comparison of three ionic liquid-tolerant cellulases by molecular dynamics. (2015) (61)
- Ab initio study of acrylate polymerization reactions: methyl methacrylate and methyl acrylate propagation. (2008) (60)
- Data science: Accelerating innovation and discovery in chemical engineering (2016) (58)
- Structure and dynamics of the actin filament. (2010) (56)
- Mechanistic Modeling of Lubricant Degradation. 1. Structure−Reactivity Relationships for Free-Radical Oxidation (2008) (52)
- Diatom mimics: directing the formation of biosilica nanoparticles by controlled folding of lysine-leucine peptides. (2014) (52)
- Structural and dynamic features of Candida rugosa lipase 1 in water, octane, toluene, and ionic liquids BMIM-PF6 and BMIM-NO3. (2013) (50)
- Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst (2021) (49)
- Mechanistic Modeling of Lubricant Degradation. 2. The Autoxidation of Decane and Octane (2008) (49)
- Application of machine learning to pyrolysis reaction networks: Reducing model solution time to enable process optimization (2017) (47)
- Molecular dynamics investigation of the ionic liquid/enzyme interface: Application to engineering enzyme surface charge (2015) (46)
- Fast Pyrolysis of Wood for Biofuels: Spatiotemporally Resolved Diffuse Reflectance In situ Spectroscopy of Particles. (2014) (40)
- Quantum chemical investigation of low-temperature intramolecular hydrogen transfer reactions of hydrocarbons. (2006) (40)
- Enhanced sampling of chemical and biochemical reactions with metadynamics (2015) (38)
- Detailed Kinetic Modeling of Lignin Pyrolysis for Process Optimization (2016) (38)
- Free energy of solvated salt bridges: a simulation and experimental study. (2013) (37)
- New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations. (2016) (37)
- Folding and insertion thermodynamics of the transmembrane WALP peptide. (2015) (35)
- Structural Effects of Methionine Oxidation on Isolated Subdomains of Human Fibrin D and αC Regions (2014) (34)
- Strong Electrostatic Interactions Lead to Entropically Favorable Binding of Peptides to Charged Surfaces. (2016) (32)
- Car–Parrinello Molecular Dynamics + Metadynamics Study of High-Temperature Methanol Oxidation Reactions Using Generic Collective Variables (2014) (30)
- The Structure of the Diatom Silaffin Peptide R5 within Freestanding Two-Dimensional Biosilica Sheets. (2017) (28)
- Molecular Driving Forces in Peptide Adsorption to Metal Oxide Surfaces. (2019) (27)
- Biomimetic Growth of Ultrathin Silica Sheets Using Artificial Amphiphilic Peptides (2015) (27)
- Key structural features of the actin filament Arp2/3 complex branch junction revealed by molecular simulation. (2012) (27)
- Solvatochromism and conformational changes in fully dissolved poly(3-alkylthiophene)s. (2015) (25)
- Trp-Cage Folding on Organic Surfaces. (2015) (24)
- Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation. (2017) (24)
- Kinetics and mechanism of ionic-liquid induced protein unfolding: application to the model protein HP35 (2016) (24)
- Investigating the Role of Phosphorylation in the Binding of Silaffin Peptide R5 to Silica with Molecular Dynamics Simulations. (2017) (24)
- Ultrafast Reorientational Dynamics of Leucine at the Air-Water Interface. (2016) (23)
- Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics Investigation. (2018) (23)
- Attention-based generative models for de novo molecular design† (2021) (23)
- Molecular dynamics simulation and coarse-grained analysis of the Arp2/3 complex. (2008) (22)
- Characterizing the catalyzed hydrolysis of β-1,4 glycosidic bonds using density functional theory. (2013) (21)
- Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings. (2014) (21)
- Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions (2018) (21)
- Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations. (2016) (20)
- Lifting the Curse of Dimensionality on Enhanced Sampling of Reaction Networks with Parallel Bias Metadynamics. (2018) (20)
- Effect of Hydrophobic and Hydrophilic Surfaces on the Stability of Double-Stranded DNA. (2015) (20)
- Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics. (2018) (20)
- Enhancing the Oxidation of Toluene with External Electric Fields: a Reactive Molecular Dynamics Study (2017) (20)
- Generic Biphasic Catalytic Approach for Producing Renewable Diesel from Fatty Acids and Vegetable Oils (2019) (20)
- Tackling sampling challenges in biomolecular simulations. (2015) (19)
- Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids. (2017) (19)
- Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids. (2017) (19)
- Chain Flexibility in Self-Assembled Monolayers Affects Protein Adsorption and Surface Hydration: A Molecular Dynamics Study. (2016) (18)
- Ice-nucleating proteins are activated by low temperatures to control the structure of interfacial water (2021) (17)
- A MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids. (2020) (17)
- Effect of Fluoroethylene Carbonate Additives on the Initial Formation of the Solid Electrolyte Interphase on an Oxygen-Functionalized Graphitic Anode in Lithium-Ion Batteries. (2020) (17)
- Orientation and Conformation of Proteins at the Air-Water Interface Determined from Integrative Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy. (2020) (16)
- Elucidation of structure-reactivity relationships in hindered phenols via quantum chemistry and transition state theory (2007) (16)
- Quantifying the Dynamics of Protein Self-Organization Using Deep Learning Analysis of Atomic Force Microscopy Data. (2020) (16)
- Assessing Generic Collective Variables for Determining Reaction Rates in Metadynamics Simulations. (2017) (16)
- Quantifying the Molecular-Scale Aqueous Response to the Mica Surface (2017) (15)
- Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments. (2019) (14)
- Determining energy barriers and selectivities of a multi-pathway system with infrequent metadynamics. (2017) (14)
- Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular Simulations. (2016) (14)
- Studies of dynamic binding of amino acids to TiO2 nanoparticle surfaces by Solution NMR and Molecular Dynamics Simulations. (2020) (13)
- Sequence-structure-binding relationships reveal adhesion behavior of the Car9 solid-binding peptide: an integrated experimental and simulation study. (2020) (13)
- Using Molecular Simulation to Study Biocatalysis in Ionic Liquids. (2016) (13)
- Structure Characterization and Properties of Metal-Surfactant Complexes Dispersed in Organic Solvents. (2015) (11)
- Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces. (2019) (11)
- Tribological degradation of two vegetable‐based lubricants at elevated temperatures (2007) (11)
- Enhanced Activity and Stability of Acidothermus cellulolyticus Endoglucanase 1 in Ionic Liquids via Engineering Active Site Residues and Non-Native Disulfide Bridges (2020) (10)
- Ice-binding site of surface-bound type III antifreeze protein partially decoupled from water. (2018) (10)
- Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and Pyrolysis. (2019) (9)
- Design of Polyphosphate Inhibitors: A Molecular Dynamics Investigation on Polyethylene Glycol-Linked Cationic Binding Groups. (2018) (9)
- Acetylation dictates the morphology of nanophase biosilica precipitated by a 14‐amino acid leucine–lysine peptide (2017) (9)
- Elucidating molecular design principles for charge-alternating peptides. (2019) (9)
- Multimodal Deep Neural Networks using Both Engineered and Learned Representations for Biodegradability Prediction (2018) (9)
- Molecular recognition and specificity of biomolecules to titanium dioxide from molecular dynamics simulations (2020) (9)
- Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations (2019) (8)
- LK peptide side chain dynamics at interfaces are independent of secondary structure. (2017) (7)
- Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution (2020) (7)
- Ion-dependent protein–surface interactions from intrinsic solvent response (2021) (7)
- Metadynamics to Enhance Sampling in Biomolecular Simulations. (2019) (6)
- Continuous Molecular Representations of Ionic Liquids. (2020) (6)
- Solvent oligomerization pathways facilitated by electrolyte additives during solid-electrolyte interphase formation. (2020) (6)
- Fantastic Liquids and Where To Find Them: Optimizations of Discrete Chemical Space (2019) (5)
- Effect of an ionic liquid/air Interface on the structure and dynamics of amphiphilic peptides (2017) (5)
- Probing How Defects in Self-assembled Monolayers Affect Peptide Adsorption with Molecular Simulation (2015) (4)
- Effect of graphitic anode surface functionalization on the structure and dynamics of electrolytes at the interface. (2021) (4)
- The Ice Nucleating Protein InaZ is Activated by Low Temperature (2020) (4)
- Determining dominant driving forces affecting controlled protein release from polymeric nanoparticles. (2017) (4)
- Contra-thermodynamic behavior in intermolecular hydrogen transfer of alkylperoxy radicals. (2007) (4)
- Assessing the Performance of Various Stochastic Optimization Methods on Chemical Kinetic Modeling of Combustion (2020) (3)
- Predictive Theoretical Framework for Dynamic Control of Bioinspired Hybrid Nanoparticle Self-Assembly. (2022) (3)
- Thiolated Lysine‐Leucine Peptides Self‐Assemble into Biosilica Nucleation Pits on Gold Surfaces (2017) (3)
- Probing the Thermodynamics and Kinetics of Ethylene Carbonate Reduction at the Electrode-Electrolyte Interface with Molecular Simulations (2021) (3)
- Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions. (2018) (3)
- Hierarchical Materials from High Information Content Macromolecular Building Blocks: Construction, Dynamic Interventions, and Prediction. (2022) (3)
- Mechanistic modeling of lubricant degradation: The autoxidation of alkanes (2008) (3)
- Impact of Glutamate Carboxylation in the Adsorption of the α-1 Domain of Osteocalcin to Hydroxyapatite and Titania. (2020) (3)
- Trimethylation of the R5 Silica‐Precipitating Peptide Increases Silica Particle Size by Redirecting Orthosilicate Binding (2020) (3)
- Formulation and Efficacy of Catalase-Loaded Nanoparticles for the Treatment of Neonatal Hypoxic-Ischemic Encephalopathy (2021) (3)
- THERMOPLASTIC COMPOSITE SANDWICH PANELS (2001) (3)
- Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets. (2022) (3)
- Characteristics of Impactful Machine Learning Contributions to The Journal of Physical Chemistry. (2023) (2)
- Editorial overview: Frontiers of chemical engineering: Molecular modeling (2019) (2)
- The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry. (2020) (2)
- Peptoid-Directed Formation of Five-Fold Twinned Au Nanostars through Particle Attachment and Facet Stabilization (2022) (2)
- Membrane Structure of Aquaporin Observed with Combined Experimental and Theoretical Sum Frequency Generation Spectroscopy. (2021) (2)
- Composition of Oxygen Functional Groups on Graphite Surfaces (2022) (2)
- Direct Evidence for Aligned Binding of Cellulase Enzymes to Cellulose Surfaces. (2021) (2)
- Inhibition of the Exoglucanase Cel7A by a Douglas-Fir-Condensed Tannin. (2018) (2)
- Redefining the Protein-Protein Interface: Coarse Graining and Combinatorics for an Improved Understanding of Amino Acid Contributions to the Protein-Protein Binding Affinity. (2017) (2)
- Analyzing the Long Time-Scale Dynamics of Uremic Toxins Bound to Sudlow Site II in Human Serum Albumin. (2021) (2)
- A New Graduate-Level Seminar to Prepare Students for the Next Step in Their Careers. (2015) (2)
- Spatiotemporally resolved diffuse reflectance in situ spectroscopy (DRiSP) of pyrolyzing wood particles (2014) (2)
- IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks (2018) (2)
- The Composition of Oxygen Functionals Groups at the Surface of Carbon-Based Graphitic Anode (2021) (2)
- Combining Molecular and Spin Dynamics Simulations with Solid-State NMR: A Case Study of Amphiphilic Lysine-Leucine Repeat Peptide Aggregates. (2019) (2)
- The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry. (2020) (2)
- Substitution of distal and active site residues reduces product inhibition of E1 from Acidothermus Cellulolyticus. (2021) (1)
- Elucidating the role of catalytic amino acid residues in the peptide-mediated silica oligomerization reaction mechanism. (2022) (1)
- Molecular Driving Force for Facet Selectivity of Sequence-Defined Amphiphilic Peptoids at Au-Water Interfaces. (2022) (1)
- Optimization of Thermal Conductance at Interfaces Using Machine Learning Algorithms. (2022) (1)
- Elucidating the molecular interactions between uremic toxins and the Sudlow II binding site of human serum albumin (2020) (1)
- Peptide Mimic of the Marine Sponge Protein Silicatein Fabricates Ultrathin Nanosheets of Silicon Dioxide and Titanium Dioxide. (2022) (1)
- Elucidating the Molecular Interactions Between Uremic Toxins and the Sudlow II Binding Site of Human Serum Albumin. (2020) (1)
- Unit Operations Lab Bazaar (2011) (1)
- Thermal Degradation of Soybean and Sunflower Oils (2007) (1)
- Exploring structure and dynamics of the polylactic‐co‐glycolic acid–polyethylene glycol copolymer and its homopolymer constituents in various solvents using all‐atom molecular dynamics (2022) (1)
- Inside Cover Picture: Fast Pyrolysis of Wood for Biofuels: Spatiotemporally Resolved Diffuse Reflectance In situ Spectroscopy of Particles (ChemSusChem 3/2014) (2014) (1)
- Virtual Special Issue on Machine Learning in Physical Chemistry, Volume 2 ─ Call for Papers. (2023) (0)
- 31. Getting it Right the First Time: Comprehensive Exposure Assessment in a New Facility (2003) (0)
- Designing sequence-defined peptoids for fibrillar self-assembly and silicification. (2022) (0)
- Data Science in Chemical Engineering: Applications to Molecular Science. (2021) (0)
- UvA-DARE (Digital Academic Repository) Membrane Structure of Aquaporin Observed with Combined Experimental and Theoretical Sum Frequency Generation Spectroscopy (2021) (0)
- Surface Assembly: Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces (Adv. Mater. Interfaces 16/2017) (2017) (0)
- Quantum Chemical Studies of Free-Radical, Hindered Phenol Stabilizers (2005) (0)
- Studying the Effects of Methionine Oxidation on Human Fibrin with Multiscale Simulations (2014) (0)
- Spatio-temporal carbohydrate characterization of wood particles during fast pyrolysis (2013) (0)
- Coagulopathy In Trauma Patients Is Accompanied By Oxidation Of a Methionine Residue In The αC Domain Of Fibrinogen and Abnormal Fibrin Polymerization (2013) (0)
- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics (2021) (0)
- Biasing High-Dimensional Free-Energy Landscapes for the Detection of Stable Clusters in Self-Assembling Systems (2018) (0)
- Structural Insights on the Statherin N-Terminal Binding Domain in the Adsorbed State (2014) (0)
- 286. Systematic Approaches to Basic Characterization at a Large Manufacturing Facility (2004) (0)
- Integration of the Chemical Engineering Laboratory with a Focus on Bio-Fuel Production (2011) (0)
- Bottom-up Coarse-grained Molecular Simulations of Peptoids with Enhanced Sampling (2020) (0)
- Quick and Accurate Estimates of Mutation Effects on Transition-State Stabilization of Enzymes from Molecular Simulations with Restrained Transition States. (2022) (0)
- Relaxing the aquaporin crystal structure in a membrane with surface vibrational spectroscopy. (2019) (0)
- Molecular Recognition and Specificity of Biomolecules to Titanium Dioxide from MD Simulations (2020) (0)
- Enhancing the Oxidation of Toluene with External Electric Fields: a Reactive Molecular Dynamics Study (2017) (0)
- Peptide Aggregation in Solution and Interaction with Inorganic Surfaces: A Metadynamics Investigation (2019) (0)
- CHEMICAL AND BIOCHEMICAL KINETICS AND MACROKINETICS (2011) (0)
- Forum Plenary: Computational Molecular Science and Engineering Forum (Invited Talks) (2019) (0)
- Giving Attention to Generative VAE Models for De Novo Molecular Design (2021) (0)
- Characteristics of Impactful Machine Learning Contributions to The Journal of Physical Chemistry. (2023) (0)
- The Impact of Molecular Sequence on Hierarchical Assembly of Biomimetic Polymers (2018) (0)
- Design of new lubricant formulations through mechanistic modeling (2005) (0)
- Discrete Orientations of Interfacial Waters Direct Crystallization of Mica-Binding Proteins. (2022) (0)
- Simulation Reveals Fundamental Behavior of the Actin Filament and Arp2/3 Branch Junction (2010) (0)
- Designing Superhydrophilic, Disordered Peptides to Improve the Stability and Efficacy of Protein Therapeutics (2019) (0)
- Virtual Special Issue on Machine Learning in Physical Chemistry, Volume 2 ─ Call for Papers. (2023) (0)
- 287. Computerized Network Generation for Complex Reacting Systems—A Bold new Frontier in Exposure Modeling (2004) (0)
- Strategies for Constructing Reaction Networks of Lubricant Degradation (2005) (0)
- Theoretical Investigation of Organohalide Perovskite Degradation in Water (2021) (0)
- Engineering the Interface Between Biomolecules, Solvents, and Surfaces Using Molecular Simulation (2014) (0)
- Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes. (2023) (0)
- Topical Plenary: Topical Conference in Molecular and Materials Data Science (Invited Talks) (2019) (0)
- Into the Facet-Selectivity of Sequenced Amphiphilic Peptoids at the Au-Water Interface (2021) (0)
- Examining the Effect of Polymer Extension on Protein–Polymer Interactions That Occur during Formulation of Protein-Loaded Poly(lactic acid-co-glycolic acid)-polyethylene Glycol Nanoparticles (2022) (0)
- Mechanistic modeling of hydrocarbon autoxidation: Theory and application to the study of lubricant degradation (2007) (0)
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