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Publication Listing for the MeSH term Molecular Docking Simulation. Found 7 abstracts

Weitzner BD, Jeliazkov JR, Lyskov S, Marze N, Kuroda D, Frick R, Adolf-Bryfogle J, Biswas N, Dunbrack RL, Gray JJ. Modeling and docking of antibody structures with Rosetta. Nature protocols. 2017 Feb;12(2):401-16.
Deng N, Flynn WF, Xia J, Vijayan RS, Zhang B, He P, Mentes A, Gallicchio E, Levy RM. Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015. Journal of computer-aided molecular design. 2016 Sep;30(9):743-51.
Patel D, Antwi J, Koneru PC, Serrao E, Forli S, Kessl JJ, Feng L, Deng N, Levy RM, Fuchs JR, Olson AJ, Engelman AN, Bauman JD, Kvaratskhelia M, Arnold E. A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain. The Journal of biological chemistry. 2016 Nov 04;291(45):23569-77.   PMCID: PMC5095411
Deng N, Forli S, He P, Perryman A, Wickstrom L, Vijayan RS, Tiefenbrunn T, Stout D, Gallicchio E, Olson AJ, Levy RM. Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV protease. J Phys Chem B. 2015 Jan 22;119(3):976-88.   PMCID: PMC4306491
Gosselin-Badaroudine P, Moreau A, Delemotte L, Cens T, Collet C, Rousset M, Charnet P, Klein ML, Chahine M. Characterization of the honeybee AmNaV1 channel and tools to assess the toxicity of insecticides. Sci Rep. 2015 Jul 23;5:12475.   PMCID: 4894402
Najjar M, Suebsuwong C, Ray S, Thapa R, Maki J, Nogusa S, Shah S, Saleh D, Gough P, Bertin J, Yuan J, Balachandran S, Cuny G, Degterev A. Structure guided design of potent and selective ponatinib-based hybrid inhibitors for RIPK1. Cell Reports. 2015 Mar 24;10(11):1850-60.   PMCID: 4494889
Paudyal S, Alfonso-Prieto M, Carnevale V, Redhu SK, Klein ML, Nicholson AW. Combined computational and experimental analysis of a complex of ribonuclease III and the regulatory macrodomain protein, YmdB. Proteins. 2015 Mar;83(3):459-72.   PMCID: PMC4329070
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MeSH cloud from publications including the MeSH term Molecular Docking Simulation

Last updated on Friday, February 02, 2018