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Molecular dynamics

SdPI, The First Functionally Characterized Kunitz-Type Trypsin Inhibitor from Scorpion Venom

Ruiming Zhao, Hui Dai, [ ... ], Zhijian Cao

Context Mediates Antimicrobial Efficacy of Kinocidin Congener Peptide RP-1

Nannette Y. Yount, Samuel E. Cohen, [ ... ], Michael R. Yeaman

Revisiting the NMR Structure of the Ultrafast Downhill Folding Protein gpW from Bacteriophage λ

Lorenzo Sborgi, Abhinav Verma, Victor Muñoz, Eva de Alba

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

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