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	Development and validation of a genetic algorithm for flexible docking [My Copy] Journal of Molecular Biology, Vol. 267, No. 3. (04 April 1997), pp. 727-748. by G. Jones posted to docking by ubcg08l on 2009-10-09 15:08:36 as
	Automated docking with grid-based energy evaluation [My Copy] Journal of Computational Chemistry, Vol. 13, No. 4. (1992), pp. 505-524. by Elaine C. Meng, Brian K. Shoichet, Irwin D. Kuntz posted to docking by ubcg08l on 2009-10-09 14:54:02 as along with 3 people nickolay Lombardo_7 middledomain
	ZINC--a free database of commercially available compounds for virtual screening. [My Copy] Journal of chemical information and modeling, Vol. 45, No. 1. (b 2005), pp. 177-182. by John J. Irwin, Brian K. Shoichet posted to docking by ubcg08l on 2009-10-09 14:46:31 as along with 3 people and 3 groups karinaecomp beapen jerome_ucsf_slb Atopic_and_Seborrhoeic_Dermatitis Skin_Deep Applied_Bimatics
	The flexible pocketome engine for structural chemogenomics. [My Copy] Methods in molecular biology (Clifton, N.J.), Vol. 575 (2009), pp. 249-279. by Ruben Abagyan, Irina Kufareva posted to protein-ensembles pockets flexibility docking by ubcg08l on 2009-09-04 13:10:43 as
	Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations. [My Copy] Protein science : a publication of the Protein Society, Vol. 11, No. 2. (1 February 2002), pp. 184-197. by Buyong Ma, Maxim Shatsky, Haim J. Wolfson, Ruth Nussinov posted to protein-ensembles hotspots hinges docking by ubcg08l on 2009-09-04 11:32:24 as along with 3 people and 1 group yongzhao ruvido jlh64 TSRI_MGL
	Grand Canonical Monte Carlo Simulation of Ligand−Protein Binding [My Copy] Journal of Chemical Information and Modeling, Vol. 46, No. 1. (1 January 2006), pp. 231-242. by Matthew Clark, Frank Guarnieri, Igor Shkurko, Jeff Wiseman posted to scoring hotspots fragments docking by ubcg08l on 2009-08-27 08:56:45 as along with 2 people ttjoseph daevans
	Exhaustive docking of molecular fragments with electrostatic solvation. [My Copy] Proteins, Vol. 37, No. 1. (1 October 1999), pp. 88-105. by N. Majeux, M. Scarsi, J. Apostolakis, C. Ehrhardt, A. Caflisch posted to hotspots fragments docking by ubcg08l on 2009-08-27 08:50:37 as along with 1 person apostola
	Characterization of protein-ligand interaction sites using experimental and computational methods. [My Copy] Current opinion in drug discovery & development, Vol. 9, No. 3. (May 2006), pp. 354-362. by Sandor Vajda, Frank Guarnieri posted to docking by ubcg08l on 2009-08-10 14:55:43 as along with 3 people and 1 group kentsis nickolay caporaso biomedical-nlp
	Docking for fragment inhibitors of AmpC beta-lactamase. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 106, No. 18. (5 May 2009), pp. 7455-7460. by D. G. Teotico, K. Babaoglu, G. J. Rocklin, R. S. Ferreira, A. M. Giannetti, B. K. Shoichet posted to docking fragments scoring screening virtual by ubcg08l on 2009-05-08 09:28:34 as along with 1 person and 1 group sobolevnrm baker-group
	Molecular docking and ligand specificity in fragment-based inhibitor discovery [My Copy] Nat Chem Biol, Vol. 5, No. 5. (22 May 2009), pp. 358-364. by Yu Chen, Brian K. Shoichet posted to docking fragments by ubcg08l on 2009-03-30 15:02:47 as along with 3 people and 1 group Faben reyez pslee Fragment Based Drug Discovery

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fragments	57
hotspots	25
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tautomerism	17
drug_discovery	15
protein-ensembles	14
experimental	14
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differential_geometry	10
docking	10
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screening	2
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interactome	2
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zinc_fingers	2
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ring	1
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receptor	1
crystallography	1
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computational	1

ubcg08l's docking [10 articles] Export Sort

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