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Potential energy

A Steered Molecular Dynamics Study of Binding and Translocation Processes in the GABA Transporter

Søren Skovstrup, Laurent David, Olivier Taboureau, Flemming Steen Jørgensen

Asymmetric Stochastic Switching Driven by Intrinsic Molecular Noise

David Frigola, Laura Casanellas, José M. Sancho, Marta Ibañes

Physical Properties of Biological Entities: An Introduction to the Ontology of Physics for Biology

Daniel L. Cook, Fred L. Bookstein, John H. Gennari

Mechanochemical Modeling of Dynamic Microtubule Growth Involving Sheet-to-Tube Transition

Xiang-Ying Ji, Xi-Qiao Feng

Energy Beyond Food: Foraging Theory Informs Time Spent in Thermals by a Large Soaring Bird

Emily L. C. Shepard, Sergio A. Lambertucci, Diego Vallmitjana, Rory P. Wilson

Catalytic Mechanism Investigation of Lysine-Specific Demethylase 1 (LSD1): A Computational Study

Xiangqian Kong, Sisheng Ouyang, [ ... ], Hualiang Jiang

An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints

Pablo Echenique, Claudio N. Cavasotto, [ ... ], J.L. Alonso

In Silico and In Vitro Investigations of the Mutability of Disease-Causing Missense Mutation Sites in Spermine Synthase

Zhe Zhang, Joy Norris, Charles Schwartz, Emil Alexov

Computing the Viscosity of Supercooled Liquids: Markov Network Model

Ju Li, Akihiro Kushima, [ ... ], Sidney Yip

An Estimate of the Numbers and Density of Low-Energy Structures (or Decoys) in the Conformational Landscape of Proteins

Kanagasabai Vadivel, Gautham Namasivayam

Fibronectin Unfolding Revisited: Modeling Cell Traction-Mediated Unfolding of the Tenth Type-III Repeat

Elaine P. S. Gee, Donald E. Ingber, Collin M. Stultz

Normal-Mode-Analysis–Monitored Energy Minimization Procedure for Generating Small–Molecule Bound Conformations

Qi Wang, Yuan-Ping Pang

Preference of Small Molecules for Local Minimum Conformations when Binding to Proteins

Qi Wang, Yuan-Ping Pang

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