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Meng, Elaine C., Shoichet, Brian K., Kuntz, Irwin D. (1992) Automated docking with grid-based energy evaluation. Journal of Computational Chemistry, 13 (4). 505-524 doi:10.1002/jcc.540130412

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Reference TypeJournal (article/letter/editorial)
TitleAutomated docking with grid-based energy evaluation
JournalJournal of Computational Chemistry
AuthorsMeng, Elaine C.Author
Shoichet, Brian K.Author
Kuntz, Irwin D.Author
Year1992 (May)Volume13
Issue4
PublisherWiley
DOIdoi:10.1002/jcc.540130412Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3145871Long-form Identifiermindat:1:5:3145871:9
GUID0
Full ReferenceMeng, Elaine C., Shoichet, Brian K., Kuntz, Irwin D. (1992) Automated docking with grid-based energy evaluation. Journal of Computational Chemistry, 13 (4). 505-524 doi:10.1002/jcc.540130412
Plain TextMeng, Elaine C., Shoichet, Brian K., Kuntz, Irwin D. (1992) Automated docking with grid-based energy evaluation. Journal of Computational Chemistry, 13 (4). 505-524 doi:10.1002/jcc.540130412
In(1992, May) Journal of Computational Chemistry Vol. 13 (4) Wiley

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Shoichet, Brian K., Kuntz, Irwin D., Bodian, Dale L. (1992) Molecular docking using shape descriptors. Journal of Computational Chemistry, 13 (3). 380-397 doi:10.1002/jcc.540130311
Shoichet, Brian K., Kuntz, Irwin D. (1991) Protein docking and complementarity. Journal of Molecular Biology, 221 (1). 327-346 doi:10.1016/0022-2836(91)80222-g
Leach, Andrew R., Kuntz, Irwin D. (1992) Conformational analysis of flexible ligands in macromolecular receptor sites. Journal of Computational Chemistry, 13 (6). 730-748 doi:10.1002/jcc.540130608
Ewing, Todd J. A., Kuntz, Irwin D. (1997) Critical evaluation of search algorithms for automated molecular docking and database screening. Journal of Computational Chemistry, 18 (9). 1175-1189 doi:10.1002/(sici)1096-987x(19970715)18:9<1175::aid-jcc6>3.0.co;2-o
Makino, Shingo, Kuntz, Irwin D. (1997) Automated flexible ligand docking method and its application for database search. Journal of Computational Chemistry, 18 (14). 1812-1825 doi:10.1002/(sici)1096-987x(19971115)18:14<1812::aid-jcc10>3.0.co;2-h
Hill, Anthony D., Reilly, Peter J. (2008) A Gibbs free energy correlation for automated docking of carbohydrates. Journal of Computational Chemistry, 29 (7). 1131-1141 doi:10.1002/jcc.20873
Wu, Guosheng, Robertson, Daniel H., Brooks, Charles L., Vieth, Michal (2003) Detailed analysis of grid-based molecular docking: A case study of CDOCKER?A CHARMm-based MD docking algorithm. Journal of Computational Chemistry, 24 (13). 1549-1562 doi:10.1002/jcc.10306
Allen, William J., Balius, Trent E., Mukherjee, Sudipto, Brozell, Scott R., Moustakas, Demetri T., Lang, P. Therese, Case, David A., Kuntz, Irwin D., Rizzo, Robert C. (2015) DOCK 6: Impact of new features and current docking performance. Journal of Computational Chemistry, 36 (15). 1132-1156 doi:10.1002/jcc.23905
(1992) Masthead. Journal of Computational Chemistry, 13 (4). doi:10.1002/jcc.540130401
de Vries, Sjoerd J., Zacharias, Martin (2017) Fast and accurate grid representations for atom-based docking with partner flexibility. Journal of Computational Chemistry, 38 (17). 1538-1546 doi:10.1002/jcc.24795
Gu, Shuo, Smith, Matthew S., Yang, Ying, Irwin, John J., Shoichet, Brian K. (2021) Ligand Strain Energy in Large Library Docking. Journal of Chemical Information and Modeling, 61 (9) 4331-4341 doi:10.1021/acs.jcim.1c00368
 
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