Concepedia

Characterization, Dynamics, and Mechanism of CXCR4 Antagonists on a Constitutively Active Mutant

Eric Rosenberg, R Harrison, Lun K. Tsou, Natalie A. Drucker, Brock A. Humphries, Deepa Rajasekaran, Chien-Huang Wu, Jen‐Shin Song, Chuan-Jen Wang, James W. Murphy,

Cell chemical biology · 2019 · 29 citations · 44 references

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44

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

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CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya et al. · Journal of Computational Chemistry · 2009 · 7.5K citations · Full text

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Biopython: freely available Python tools for computational molecular biology and bioinformatics

Peter Cock, Tiago Antão, Jeffrey T. Chang et al. · Bioinformatics · 2009 · 6.6K citations · Full text

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Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles

Robert B. Best, Xiao Zhu, Jihyun Shim et al. · Journal of Chemical Theory and Computation · 2012 · 4.8K citations

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