PDB Ligand Conformational Energies Calculated Quantum-Mechanically-Reference-Cited by-同舟云学术

PDB Ligand Conformational Energies Calculated Quantum-Mechanically

Published:2012-02-21 Issue:3 Volume:52 Page:739-756
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sitzmann Markus,Weidlich Iwona E.,Filippov Igor V.,Liao Chenzhong,Peach Megan L.,Ihlenfeldt Wolf-Dietrich¹,Karki Rajeshri G.,Borodina Yulia V.²,Cachau Raul E.³,Nicklaus Marc C.

Affiliation:

1. Xemistry GmbH, Hainholzweg 11, D-61462 Königstein, Germany

2. National Center for Biotechnology Information, U.S. National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda Maryland 20894, United States

3. Advanced Structure Analysis Collaboratory, Information Systems Program, SAIC-Frederick, Inc., National Cancer Institute at Frederick, Frederick, Maryland 21702, United States

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci200595n

Reference84 articles.

1. RCSB Protein Data Bank.http://www.pdb.org/pdb/static.do?p=download/ftp/index.html(accessed Aug 19, 2011) .

2. Conformational changes of small molecules binding to proteins

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