Scoria: a Python module for manipulating 3D molecular data-Reference-Cited by-同舟云学术

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Scoria: a Python module for manipulating 3D molecular data

Published:2017-09-18 Issue:1 Volume:9 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Ropp Patrick,Friedman Aaron,Durrant Jacob D.

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/s13321-017-0237-8.pdf

Reference35 articles.

1. Michaud-Agrawal N, Denning EJ, Woolf TB, Beckstein O (2011) Software news and updates MDAnalysis: a toolkit for the analysis of molecular dynamics simulations. J Comput Chem 32(10):2319–2327

2. Durrant JD, Amaro RE, McCammon JA (2009) AutoGrow: a novel algorithm for protein inhibitor design. Chem Biol Drug Des 73(2):168–178

3. Durrant JD, McCammon JA (2010) NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes. J Chem Inf Model 50(10):1865–1871

4. Durrant JD, de Oliveira CA, McCammon JA (2011) POVME: an algorithm for measuring binding-pocket volumes. J Mol Graph Model 29(5):773–776

5. Durrant JD, McCammon JA (2011) BINANA: a novel algorithm for ligand-binding characterization. J Mol Graph Model 29(6):888–893

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2. AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization;Journal of Cheminformatics;2020-04-17

3. Webina: An Open-Source Library and Web App that Runs AutoDock Vina Entirely in the Web Browser;2019-12-19

4. Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening;Journal of Cheminformatics;2019-05-24

5. Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry‐standard rendering techniques;Journal of Computational Chemistry;2017-12-26

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