PubChem3D: Diversity of shape-Reference-Cited by-同舟云学术

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PubChem3D: Diversity of shape

Published:2011-03-21 Issue:1 Volume:3 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Bolton Evan E,Kim Sunghwan,Bryant Stephen H

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/10.1186/1758-2946-3-9.pdf

Reference20 articles.

1. Yuriev E, Agostino M, Ramsland PA: Challenges and advances in computational docking: 2009 in review. J Mol Recognit. 2011, 24: 149-164. 10.1002/jmr.1077.

2. Kirchmair J, Distinto S, Liedl KR, Markt P, Rollinger JM, Schuster D, Spitzer GM, Wolber G: Development of anti-viral agents using molecular modeling and virtual screening techniques. Infect Disord Drug Targets. 2011, 11: 64-93.

3. Venkatraman V, Perez-Nueno VI, Mavridis L, Ritchie DW: Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods. J Chem Inf Model. 2010, 50: 2079-2093. 10.1021/ci100263p.

4. Sheridan RP, McGaughey GB, Cornell WD: Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results. J Comput Aided Mol Des. 2008, 22: 257-265. 10.1007/s10822-008-9168-9.

5. Schneider G: Virtual screening: an endless staircase?. Nat Rev Drug Discovery. 2010, 9: 273-276. 10.1038/nrd3139.

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1. Mapping Ligand-Shape Space for Protein–Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins;Journal of Chemical Information and Modeling;2021-03-23

2. Experimentally-Determined Strengths of Atom-Atom (C, N, O) Interactions Responsible for Protein Self-Assembly in Water: Applications to Folding and Other Protein Processes;2020-05-27

3. Computational approaches to identify novel drug-like immunomodulators against multiple sclerosis;International Journal of ADVANCED AND APPLIED SCIENCES;2019-04

4. Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets;Journal of Cheminformatics;2016-11-04

5. PubChem Substance and Compound databases;Nucleic Acids Research;2015-09-22

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