PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser

Pacheco, Sayuri; Kaminsky, Jesse C; Kochnev, Iurii K; Durrant, Jacob D

doi:10.1021/acs.jcim.9b00703

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PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser.

Published in Journal of chemical information and modeling • Oct 28, 2019

NobleIDNI2P60W77R05S81

Authors:

Sayuri Pacheco

,

Jesse C Kaminsky

,

Iurii K Kochnev

Abstract

Molecular dynamics (MD) simulations reveal molecular motions at atomic resolution. Recent advances in high-performance computing now enable microsecond-long simulations capable of sampling a wide range of biologically relevant events. But the disk space required to store an MD trajectory increases w...

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