Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Molecular dynamics

Structural, Stability, Dynamic and Binding Properties of the ALS-Causing T46I Mutant of the hVAPB MSP Domain as Revealed by NMR and MD Simulations

Shixiong Lua, Haina Qin, [ ... ], Jianxing Song

Altered Antibiotic Transport in OmpC Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. coli

Hubing Lou, Min Chen, [ ... ], James H. Naismith

Atomic-Level Characterization of the Activation Mechanism of SERCA by Calcium

L. Michel Espinoza-Fonseca, David D. Thomas

Elucidation of the ATP7B N-Domain Mg²⁺-ATP Coordination Site and Its Allosteric Regulation

Claude Hercend, Cyril Bauvais, [ ... ], Philippe Manivet

Novel Allosteric Sites on Ras for Lead Generation

Barry J. Grant, Suryani Lukman, [ ... ], Alemayehu A. Gorfe

In Silico Analysis of Single Nucleotide Polymorphism (SNPs) in Human β-Globin Gene

Mohammed Alanazi, Zainularifeen Abduljaleel, [ ... ], Mohammad D. Bazzi

A New Concept to Reveal Protein Dynamics Based on Energy Dissipation

Cheng-Wei Ma, Zhi-Long Xiu, An-Ping Zeng

Effects of Single Nucleotide Polymorphisms on Human N-Acetyltransferase 2 Structure and Dynamics by Molecular Dynamics Simulation

M. Rajasekaran, Santhanam Abirami, Chinpan Chen

First-Step Mutations for Adaptation at Elevated Temperature Increase Capsid Stability in a Virus

Kuo Hao Lee, Craig R. Miller, [ ... ], F. Marty Ytreberg

Substrate Binding Process and Mechanistic Functioning of Type 1 11β-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods

Angelo D. Favia, Matteo Masetti, Maurizio Recanatini, Andrea Cavalli

Intrinsic Determinants of Aβ_12–24 pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies

Weixin Xu, Ce Zhang, [ ... ], Yuguang Mu

Comparative Analysis of Species-Specific Ligand Recognition in Toll-Like Receptor 8 Signaling: A Hypothesis

Rajiv Gandhi Govindaraj, Balachandran Manavalan, Shaherin Basith, Sangdun Choi

Identification of a Negative Allosteric Site on Human α4β2 and α3β4 Neuronal Nicotinic Acetylcholine Receptors

Ryan E. Pavlovicz, Brandon J. Henderson, [ ... ], Chenglong Li

Advertisement

Create a weekly email alert for: Molecular dynamics

You can change these options by clicking profile then "Alerts and Notifications"