Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.
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| Title: | Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge. |
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| Authors: | Gallicchio E; Department of Chemistry and Chemical Biology, Rutgers The State University of New Jersey, Piscataway, NJ, 08854, USA, egallicchio@brooklyn.cuny.edu., Deng N, He P, Wickstrom L, Perryman AL, Santiago DN, Forli S, Olson AJ, Levy RM |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2014 Apr; Vol. 28 (4), pp. 475-90. Date of Electronic Publication: 2014 Feb 07. |
| Publication Type: | Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S. |
| Journal Info: | Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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