Tag docking_design [21 articles] Export

Recent papers classified by the tag docking_design.

	Development and validation of a modular, extensible docking program: DOCK 5. [My Copy] J Comput Aided Mol Des (6 December 2006) by Demetri T. Moustakas, P T. Lang, Scott Pegg, et al.Eric Pettersen, Irwin D. Kuntz, Natasja Brooijmans, Robert C. Rizzo posted to docking_design by yongzhao on 2007-01-11 19:15:50 as along with 2 people and 1 group BragilMassoud schlauchi TSRI_MGL
	Gradient tabu search. [My Copy] J Comput Chem, Vol. 28, No. 2. (30 January 2007), pp. 601-611. by S. Stepanenko, B. Engels posted to search docking_design by yongzhao on 2007-01-10 00:14:24 as along with 1 person and 1 group BragilMassoud TSRI_MGL
	SODOCK: Swarm optimization for highly flexible protein-ligand docking. [My Copy] J Comput Chem, Vol. 28, No. 2. (30 January 2007), pp. 612-623. by H. M. Chen, B. F. Liu, H. L. Huang, S. F. Hwang, S. Y. Ho posted to search docking_design docking by yongzhao to the group TSRI_MGL on 2007-01-09 23:05:52 as along with 4 people npt11tpn oteri BragilMassoud dgruiz
	ROSETTALIGAND: Protein-small molecule docking with full side-chain flexibility [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 65, No. 3. (13 September 2006), pp. 538-548. by Jens Meiler, David Baker posted to docking_design side_chain by yongzhao to the group TSRI_MGL on 2006-11-08 23:55:35 as along with 4 people mijam BragilMassoud kuhn jwm
	Recent Advances in Docking and Scoring [My Copy] Current Computer - Aided Drug Design, Vol. 1, No. 1. (January 2005), pp. 93-102. by E. M. Krovat, T. Steindl, T. Langer posted to docking docking_design review score by yongzhao on 2006-10-30 22:38:36 as along with 2 people and 1 group kazemi pmalatino TSRI_MGL
	M-score: a knowledge-based potential scoring function accounting for protein atom mobility. [My Copy] J Med Chem, Vol. 49, No. 20. (5 October 2006), pp. 5903-5911. by C. Y. Yang, R. Wang, S. Wang posted to docking_design score by yongzhao to the group TSRI_MGL on 2006-10-26 18:33:56 as along with 2 people mijam kazemi
	Benchmarking Sets for Molecular Docking [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 23. (1 November 2006), pp. 6789-6801. by Niu Huang, Brian K. Shoichet, John J. Irwin posted to docking docking_design library potential_app by yongzhao on 2006-10-26 18:11:12 as along with 4 people and 1 group GermanErlenkamp ihaque BragilMassoud daevans TSRI_MGL
	A review of protein-small molecule docking methods [My Copy] Journal of Computer-Aided Molecular Design, Vol. V16, No. 3. (1 March 2002), pp. 151-166. by R. D. Taylor, P. J. Jewsbury, J. W. Essex posted to docking_design review by yongzhao on 2006-10-25 00:18:37 as along with 1 group TSRI_MGL
	Principles of docking: An overview of search algorithms and a guide to scoring functions. [My Copy] Proteins, Vol. 47, No. 4. (1 June 2002), pp. 409-443. by Inbal Halperin, Buyong Ma, Haim Wolfson, Ruth Nussinov posted to docking_design review by yongzhao to the group TSRI_MGL on 2006-10-24 23:30:31 as along with 25 people and 3 groups rabio ucbcjbm flbarroso csrocha oteri timg dgruiz cantupaz apaydin bicko chad_davis ttjoseph nickolay ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Evangelia nigham Structural Biology Group TorVergata Bioinformatics insilicodrug
	Comparing protein-ligand docking programs is difficult. [My Copy] Proteins (3 June 2005) by Jason C C. Cole, Christopher W W. Murray, J Willem M W. Nissink, Richard D D. Taylor, Robin Taylor posted to docking_design review by yongzhao to the group TSRI_MGL on 2006-10-18 20:51:13 as along with 8 people and 2 groups flbarroso BragilMassoud dgruiz thaliana sangeetha kzfm peprovy carlescorbi Bioinformatics insilicodrug
	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 docking_design induced_fit multiple by yongzhao on 2006-09-13 22:41:06 as along with 3 people and 1 group ubcg08l ruvido jlh64 TSRI_MGL
	Further development and validation of empirical scoring functions for structure-based binding affinity prediction. [My Copy] J Comput Aided Mol Des, Vol. 16, No. 1. (January 2002), pp. 11-26. by R. Wang, L. Lai, S. Wang posted to docking docking_design by yongzhao on 2006-09-13 20:11:22 as along with 1 person and 1 group BragilMassoud TSRI_MGL
	DrugScore(CSD)-Knowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction. [My Copy] J Med Chem, Vol. 48, No. 20. (6 October 2005), pp. 6296-6303. by Hans F. Velec, Holger Gohlke, Gerhard Klebe posted to docking_design by yongzhao to the group TSRI_MGL on 2006-09-08 05:18:38 as along with 4 people BragilMassoud apostola insilico ucbcjbm
	Molecular recognition and docking algorithms. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 32 (2003), pp. 335-373. by Natasja Brooijmans, Irwin D. Kuntz posted to docking_design review by yongzhao to the group TSRI_MGL on 2006-07-10 22:03:34 as along with 7 people and 2 groups flbarroso BragilMassoud ttjoseph sangeetha blackbart kazemi massivemayhem Bioinformatics insilicodrug
	MolDock: A New Technique for High-Accuracy Molecular Docking. [My Copy] J Med Chem, Vol. 49, No. 11. (1 June 2006), pp. 3315-3321. by R. Thomsen, M. H. Christensen posted to docking docking_design by yongzhao to the group TSRI_MGL on 2006-06-08 20:23:37 as along with 3 people rsantana oteri BragilMassoud
	Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 1. (b 2004), pp. 88-96. by S. Yoon, W. J. Welsh posted to docking docking_design flex by yongzhao to the group TSRI_MGL on 2006-05-03 22:00:20 as along with 1 person dgruiz
	A method for biomolecular structural recognition and docking allowing conformational flexibility. [My Copy] J Comput Biol, Vol. 5, No. 4. (1998), pp. 631-654. by B. Sandak, R. Nussinov, H. J. Wolfson posted to docking_design flex by yongzhao to the group TSRI_MGL on 2006-05-03 21:50:56 as along with 1 person kazemi
	Effective handling of induced-fit motion in flexible docking. [My Copy] Proteins (10 March 2006) by Miho Yamada Y. Mizutani, Yoshihiro Takamatsu, Tazuko Ichinose, Kensuke Nakamura, Akiko Itai posted to docking docking_design induced_fit by yongzhao on 2006-03-21 18:17:40 as along with 2 people and 1 group BragilMassoud kazemi TSRI_MGL
	Evaluation of docking performance: comparative data on docking algorithms. [My Copy] J Med Chem, Vol. 47, No. 3. (29 January 2004), pp. 558-565. by M. Kontoyianni, L. M. McClellan, G. S. Sokol posted to docking docking_design potential_app by yongzhao to the group TSRI_MGL on 2006-02-23 21:56:40 as along with 5 people and 4 groups oteri marcius sangeetha insilico schuwi Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF
	Development and evaluation of a generic evolutionary method for protein-ligand docking [My Copy] Journal of Computational Chemistry, Vol. 25, No. 6. (27 February 2004), pp. 843-857. by Jinn-Moon Yang posted to docking_design ga by yongzhao on 2006-02-23 04:14:25 as along with 2 people and 1 group dgruiz nachtalp TSRI_MGL
	Efficient docking of peptides to proteins without prior knowledge of the binding site. [My Copy] Protein science : a publication of the Protein Society. , Vol. 11, No. 7. (July 2002), pp. 1729-1737. by Csaba Hetényi, David van der Spoel posted to docking docking_design by yongzhao to the group TSRI_MGL on 2005-12-12 23:02:44 as along with 3 people and 1 group npt11tpn oteri rguenther Structural Biology Group TorVergata