Comparative evaluation of several docking tools for docking small molecule ligands to DC-SIGN-Reference-Cited by-同舟云学术

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Comparative evaluation of several docking tools for docking small molecule ligands to DC-SIGN

Published:2015-06 Issue:6 Volume:21 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Jug Gregor,Anderluh Marko,Tomašič Tihomir

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-015-2713-2.pdf

Reference54 articles.

1. Brooijmans N, Kuntz ID (2003) Molecular recognition and docking algorithms. Annu Rev Biophys Biomol Struct 32:335–373. doi: 10.1146/annurev.biophys.32.110601.142532

2. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE (2000) The protein data bank. Nucleic Acids Res 28(1):235–242. doi: 10.1093/nar/28.1.235

3. Bernstein FC, Koetzle TF, Williams GJ, Meyer EF Jr, Brice MD, Rodgers JR, Kennard O, Shimanouchi T, Tasumi M (1978) The protein data bank: a computer-based archival file for macromolecular structures. Arch Biochem Biophys 185(2):584–591. doi: 10.1016/0003-9861(78)90204-7

4. Kuntz ID, Blaney JM, Oatley SJ, Langridge R, Ferrin TE (1982) A geometric approach to macromolecule-ligand interactions. J Mol Biol 161(2):269–288. doi: 10.1016/0022-2836(82)90153-X

5. Bharatham N, Bharatham K, Shelat AA, Bashford D (2014) Ligand binding mode prediction by docking: mdm2/mdmx inhibitors as a case study. J Chem Inf Model 54(2):648–659. doi: 10.1021/ci4004656

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