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Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry B
American Chemical Society | 2020| -
High-Throughput Ellipsometric Characterization of Vapor-Deposited Indomethacin Glasses
American Chemical Society | 2013| -
Developing a Fully Glycosylated Full-Length SARS-CoV‑2 Spike Protein Model in a Viral Membrane
American Chemical Society | 2020| -
Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions
American Chemical Society | 2017| -
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations
American Chemical Society | 2017| -
Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States
American Chemical Society | 2015| -
Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein–Protein Binding Affinity upon Mutation
American Chemical Society | 2018| -
Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15
American Chemical Society | 2017| -
Does SARS-CoV‑2 Bind to Human ACE2 More Strongly Than Does SARS-CoV?
American Chemical Society | 2020| -
Structural Basis of the Potential Binding Mechanism of Remdesivir to SARS-CoV‑2 RNA-Dependent RNA Polymerase
American Chemical Society | 2020| -
Sequence Effects on Size, Shape, and Structural Heterogeneity in Intrinsically Disordered Proteins
American Chemical Society | 2019| -
OPLS Force Field for Choline Chloride-Based Deep Eutectic Solvents
American Chemical Society | 2018| -
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask
American Chemical Society | 2015| -
Critical Sequence Hotspots for Binding of Novel Coronavirus to Angiotensin Converter Enzyme as Evaluated by Molecular Simulations
American Chemical Society | 2020| -
First-Principles Molecular Dynamics Study of a Deep Eutectic Solvent: Choline Chloride/Urea and Its Mixture with Water
American Chemical Society | 2018| -
Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes
American Chemical Society | 2018|
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