PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations-Reference-Cited by-同舟云学术

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PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

Published:2018-02 Issue:3 Volume:114 Page:577-583
ISSN:0006-3495
Container-title:Biophysical Journal
language:en
Short-container-title:Biophysical Journal

Author:

Scheurer Maximilian,Rodenkirch Peter,Siggel Marc,Bernardi Rafael C.,Schulten Klaus,Tajkhorshid Emad,Rudack Till

Funder

state of Baden-Württemberg through bwHPC

German Research Foundation

National Institutes of Health

DoE Office of Science

National Science Foundation

Feodor Lynen von Humboldt

Publisher

Elsevier BV

Subject

Biophysics

Reference51 articles.

1. Molecular dynamics simulations of biomolecules;Karplus;Nat. Struct. Biol.,2002

2. Biomolecular simulation: a computational microscope for molecular biology;Dror;Annu. Rev. Biophys.,2012

3. Molecular dynamics simulations of large macromolecular complexes;Perilla;Curr. Opin. Struct. Biol.,2015

4. QwikMD-integrative molecular dynamics toolkit for novices and experts;Ribeiro;Sci. Rep.,2016

5. Computational methodologies for real-space structural refinement of large macromolecular complexes;Goh;Annu. Rev. Biophys.,2016

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