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Molecular Dynamics of Proteins

Molecular Dynamics of Proteins diagram by Liu et al, PLOS One
Liu et al, PLOS One

Molecular dynamics refers to a computer simulation method that enables the study of physical movements of molecules and atoms. Here is the latest research on molecular dynamics simulation of proteins.

Top 20 most recent papers
ACS Applied Materials & Interfaces

Nanoscale chemical heterogeneity in aromatic polyamide membranes for reverse osmosis applications

ACS Applied Materials & InterfacesApril 8, 2020
Catriona M McGilveryAlexandra E Porter
Proceedings of the National Academy of Sciences of the United States of America

Tubulin tails and their modifications regulate protein diffusion on microtubules

Proceedings of the National Academy of Sciences of the United States of AmericaApril 5, 2020
Lavi S Bigman, Yaakov Levy
Bioorganic & Medicinal Chemistry Letters

Identification of a new class of non-electrophilic TRPA1 agonists by a structure-based virtual screening approach

Bioorganic & Medicinal Chemistry LettersApril 7, 2020
Mitsugu ArakiYasushi Okuno
Accounts of Chemical Research

Molecular Modeling for Artificial Metalloenzyme Design and Optimization

Accounts of Chemical ResearchApril 3, 2020
Lur Alonso-CotchicoJean-Didier Maréchal
Journal of Proteomics

Experimentally-driven protein structure modeling

Journal of ProteomicsApril 9, 2020
Nikolay V Dokholyan
The Journal of Physical Chemistry. B

Critical Role of Confinement in the NMR Surface Relaxation and Diffusion of n -Heptane in a Polymer Matrix Revealed by MD Simulations

The Journal of Physical Chemistry. BApril 9, 2020
Arjun Valiya ParambathuDilipkumar Asthagiri

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