Group: TSRI_MGL - with tag docking [38 articles] Export

Recent papers posted by members of the TSRI_MGL group with tag docking

	MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm. [My Copy] Nucleic acids research, Vol. 33, No. Web Server issue. (1 July 2005) by D. T. Chang, Y. J. Oyang, J. H. Lin posted to docking by oteri to the group TSRI_MGL on 2008-12-02 08:33:58 as
	FLIPDock: Docking flexible ligands into flexible receptors [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 3. (23 May 2007), pp. 726-737. by Yong Zhao, Michel F. Sanner posted to side_chain rotamer_lib induced_fit flex docking cross_docking by yongzhao to the group TSRI_MGL on 2007-07-27 17:59:04 as along with 7 people npt11tpn fl karinaecomp BragilMassoud kazemi somak LamBras
	Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening. [My Copy] J Med Chem, Vol. 49, No. 25. (14 December 2006), pp. 7466-7478. by Artem Cherkasov, Fuqiang Ban, Yvonne Li, Magid Fallahi, Geoffrey L. Hammond posted to screening qsar docking by yongzhao to the group TSRI_MGL on 2007-01-11 19:25:04 as along with 1 person BragilMassoud
	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
	Enhanced docking with the mining minima optimizer: Acceleration and side-chain flexibility [My Copy] Journal of Computational Chemistry, Vol. 23, No. 16. (2002), pp. 1656-1670. by Visvaldas Kairys, Michael K. Gilson posted to cross_docking docking ga search by yongzhao to the group TSRI_MGL on 2007-01-03 21:51:37 as along with 3 people and 1 group blackbart kazemi arlam Chang group
	A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening. [My Copy] J Mol Graph Model, Vol. 18, No. 3. (June 2000) by H. B. Broughton posted to docking flex induced_fit screening by yongzhao to the group TSRI_MGL on 2007-01-03 21:43:02 as along with 2 people kazemi LamBras
	Protein-ligand docking: Current status and future challenges [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 65, No. 1. (21 July 2006), pp. 15-26. by Sérgio F. Sousa, Pedro A. Fernandes, Maria J. Ramos posted to autodock docking by yongzhao to the group TSRI_MGL on 2006-11-07 19:07:30 as along with 11 people and 1 group rabio flbarroso ramensky BragilMassoud peprovy kazemi sergio_fms carlescorbi robert boris_aguilar qaiser_fatmi Chang group
	A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance. [My Copy] Proteins, Vol. 56, No. 2. (1 August 2004), pp. 235-249. by E. Perola, W. P. Walters, P. S. Charifson posted to docking score by yongzhao to the group TSRI_MGL on 2006-10-30 22:59:14 as along with 5 people and 2 groups oteri ramensky BragilMassoud marcius schlauchi BioinfoCIPF SGU-CIPF
	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 to the group TSRI_MGL on 2006-10-30 22:38:36 as along with 2 people kazemi pmalatino
	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 to the group TSRI_MGL on 2006-10-26 18:11:12 as along with 4 people GermanErlenkamp ihaque BragilMassoud daevans
	New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy [My Copy] Journal of Computational Chemistry, Vol. 26, No. 11. (2005), pp. 1089-1095. by A. M. Ruvinsky, A. V. Kozintsev posted to docking reranking by yongzhao to the group TSRI_MGL on 2006-09-14 22:21:58 as along with 1 person daevans
	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 to the group TSRI_MGL on 2006-09-13 20:11:22 as along with 1 person BragilMassoud
	Improving binding mode predictions by docking into protein-specifically adapted potential fields. [My Copy] J Med Chem, Vol. 48, No. 17. (25 August 2005), pp. 5466-5479. by S. Radestock, M. Böhm, H. Gohlke posted to docking potential_app by yongzhao to the group TSRI_MGL on 2006-09-08 01:51:42 as along with 3 people BragilMassoud kazemi naitsabes
	Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming. [My Copy] Chem Biol, Vol. 2, No. 5. (May 1995), pp. 317-324. by D. K. Gehlhaar, G. M. Verkhivker, P. A. Rejto, et al.C. J. Sherman, D. B. Fogel, L. J. Fogel, S. T. Freer posted to docking score by yongzhao to the group TSRI_MGL on 2006-06-22 02:36:19 as
	Combining docking and molecular dynamic simulations in drug design. [My Copy] Med Res Rev (6 June 2006) by Hernán Alonso, Andrey A A. Bliznyuk, Jill E E. Gready posted to docking review by yongzhao to the group TSRI_MGL on 2006-06-12 23:27:31 as along with 8 people and 1 group karinaecomp flbarroso hryk oteri A_Coletta_Thesis aqeel kazemi LamBras Structural Biology Group TorVergata
	A new test set for validating predictions of protein-ligand interaction. [My Copy] Proteins, Vol. 49, No. 4. (1 December 2002), pp. 457-471. by J. W. Nissink, C. Murray, M. Hartshorn, M. L. Verdonk, J. C. Cole, R. Taylor posted to docking potential_app by yongzhao to the group TSRI_MGL on 2006-06-08 20:25:24 as along with 4 people flbarroso BragilMassoud blackbart ramensky
	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
	Ligand-induced conformational changes: improved predictions of ligand binding conformations and affinities. [My Copy] Biophys J, Vol. 84, No. 4. (April 2003), pp. 2273-2281. by T. M. Frimurer, G. H. Peters, L. F. Iversen, H. S. Andersen, N. P. Møller, O. H. Olsen posted to docking flex by yongzhao to the group TSRI_MGL on 2006-05-03 21:53:58 as along with 4 people oteri dgruiz blackbart kazemi
	Flexible protein–protein docking [My Copy] Current Opinion in Structural Biology In Theory and simulation/Macromolecular assemblages - Joel Janin and Michael Levitt/Edward H Egelman and Andrew GW Leslie, Vol. 16, No. 2. (April 2006), pp. 194-200. by A BONVIN, posted to docking flex by yongzhao to the group TSRI_MGL on 2006-05-03 00:40:08 as along with 12 people and 2 groups rabio timg flbarroso oteri laurabailey dgruiz aqeel bicko ima sangeetha gloria higueruelo Bioinformatics insilicodrug
	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 to the group TSRI_MGL on 2006-03-21 18:17:40 as along with 2 people BragilMassoud kazemi
	Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy. [My Copy] J Med Chem, Vol. 47, No. 1. (1 January 2004), pp. 45-55. by J. A. Erickson, M. Jalaie, D. H. Robertson, R. A. Lewis, M. Vieth posted to docking potential_app by yongzhao to the group TSRI_MGL on 2006-03-03 18:41:21 as along with 6 people and 2 groups oteri BragilMassoud apaydin sangeetha daevans kazemi Bioinformatics insilicodrug
	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
	Flexible ligand docking using evolutionary algorithms: investigating the effects of variation operators and local search hybrids [My Copy] Biosystems, Vol. 72, No. 1-2. (November 2003), pp. 57-73. by Rene Thomsen posted to docking ga by yongzhao to the group TSRI_MGL on 2006-02-23 04:03:16 as along with 2 people betainverse dgruiz
	Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 2. (1 January 2006), pp. 534-553. by Woody Sherman, Tyler Day, Matthew P. Jacobson, Richard A. Friesner, Ramy Farid posted to docking induced_fit by yongzhao to the group TSRI_MGL on 2006-01-25 02:32:42 as along with 7 people klexa sschurer cen4ik LamBras BragilMassoud daevans kazemi
	1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors. [My Copy] Chembiochem, Vol. 6, No. 7. (July 2005), pp. 1167-1169. by A. Brik, J. Alexandratos, Y. C. Lin, et al.J. H. Elder, A. J. Olson, A. Wlodawer, D. S. Goodsell, C. H. Wong posted to docking hiv by yongzhao to the group TSRI_MGL on 2006-01-06 17:26:33 as
	Induced Fit in Mouse Acetylcholinesterase upon Binding a Femtomolar Inhibitor: A Molecular Dynamics Study. [My Copy] J Med Chem, Vol. 48, No. 26. (29 December 2005), pp. 8155-8162. by Sanjib Senapati, Jennifer M. Bui, J A. McCammon posted to docking induced_fit by yongzhao to the group TSRI_MGL on 2005-12-28 23:54:37 as
	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
	Comparison of automated docking programs as virtual screening tools. [My Copy] J Med Chem, Vol. 48, No. 4. (24 February 2005), pp. 962-976. by M. D. Cummings, R. L. DesJarlais, A. C. Gibbs, V. Mohan, E. P. Jaeger posted to docking screening by yongzhao to the group TSRI_MGL on 2005-12-08 18:41:56 as along with 3 people and 2 groups BragilMassoud sangeetha kazemi Bioinformatics insilicodrug
	'Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand. [My Copy] J Chem Inf Model, Vol. 45, No. 6. (28 November 2005), pp. 1842-1853. by Artem Cherkasov, Zheng Shi, Yvonne Li, Steven J. Jones, Magid Fallahi, Geoffrey L. Hammond posted to docking by yongzhao to the group TSRI_MGL on 2005-11-30 20:55:11 as
	Active site binding modes of HIV-1 integrase inhibitors. [My Copy] J Med Chem, Vol. 43, No. 22. (2 November 2000), pp. 4109-4117. by C. A. Sotriffer, H. Ni, J. A. McCammon posted to docking hiv by yongzhao to the group TSRI_MGL on 2005-11-08 01:21:55 as
	Fully flexible low-mode docking: application to induced fit in HIV integrase. [My Copy] J Am Chem Soc, Vol. 123, No. 50. (19 December 2001), pp. 12708-12709. by G. M. Keserû, I. Kolossváry posted to docking hiv by yongzhao to the group TSRI_MGL on 2005-11-04 15:38:37 as
	Molecular docking of balanol to dynamics snapshots of protein kinase A. [My Copy] Proteins (21 October 2005) by Chung F F. Wong, Jeremy Kua, Yingkai Zhang, T P P. Straatsma, J Andrew A. McCammon posted to docking multiple by yongzhao to the group TSRI_MGL on 2005-10-30 23:32:31 as
	Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function [My Copy] Journal of Computational Chemistry, Vol. 19, No. 14. (6 January 1998), pp. 1639-1662. by Garrett M. Morris, David S. Goodsell, Robert S. Halliday, et al.Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson posted to docking by yongzhao to the group TSRI_MGL on 2005-10-25 21:31:16 as along with 23 people and 1 group trishul nickolay npt11tpn jamalex joule lna Lombardo_7 karinaecomp oteri A_Coletta_Thesis arlam dgruiz nachtalp P2324548 peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain LamBras andreramme UVA_mag_res Chang group
	HIV-reverse transcriptase inhibition: inclusion of ligand-induced fit by cross-docking studies. [My Copy] J Med Chem, Vol. 48, No. 1. (13 January 2005), pp. 200-212. by R. Ragno, S. Frasca, F. Manetti, A. Brizzi, S. Massa posted to cross_docking docking by yongzhao to the group TSRI_MGL on 2005-10-20 22:09:00 as
	Receptor flexibility in de novo ligand design and docking. [My Copy] J Med Chem, Vol. 48, No. 21. (20 October 2005), pp. 6585-6596. by I. L. Alberts, N. P. Todorov, P. M. Dean posted to docking flex side_chain by yongzhao to the group TSRI_MGL on 2005-10-16 22:24:14 as along with 4 people BragilMassoud dgruiz apaydin kazemi
	An efficient molecular docking using conformational space annealing. [My Copy] J Comput Chem, Vol. 26, No. 1. (15 January 2005), pp. 78-87. by K. Lee, C. Czaplewski, S. Y. Kim, J. Lee posted to docking by yongzhao to the group TSRI_MGL on 2005-09-29 06:18:32 as along with 1 person nachtalp
	Representing receptor flexibility in ligand docking through relevant normal modes. [My Copy] J Am Chem Soc, Vol. 127, No. 26. (6 July 2005), pp. 9632-9640. by C. N. Cavasotto, J. A. Kovacs, R. A. Abagyan posted to docking normal_mode_analysis by yongzhao to the group TSRI_MGL on 2005-09-23 23:30:17 as along with 6 people and 2 groups BragilMassoud apaydin barry aqeel kazemi LamBras structural_bioinformatics Bioinformatics

Note: You may cite this page as: http://www.citeulike.org/group/728/tag/docking

protein	155
review	116
screening	107
structure	97
drug	81
ligand	68
scoring	66
binding	56
flexibility	46
algorithms	41
protein-protein	36
drug_design	33
docking_prog	32
energyfunctions	31
interaction	31
protein-ligand	31
virtual_screening	31
ppi	30
protein_structure	30
algorithm	27
prediction	27
modeling	25
bioinformatics	24
protein_ligand	22
affinity	21
autodock	21
flexible	20
modelling	20
nmr	20
complexes	18
docking_design	18
glide	18
gpcr	18
rna	18
md	17
pharmacology	17
flexible_protein	16
molecular	16
simulation	16
2009	15
computational	15
induced_fit	15
function	14
homology	14
interface	14
ligands	14
pka	14
gold	13
kinases	13
solvation	13
biology	12
complex	12
database	12
disease	12
flex	12
nma	12
protein_docking	12
score	12
virtual	12
design	11
flexx	11
fragments	11
hts	11
molecular_dynamics	11
proj_assembly	11
qsar	11
software	11
2007	10
conformation	10
dna	10
dockingscore	10
dynamics	10
free_energy	10
hdock	10
potential_app	10
sbdd	10
biophysics	9
drug-design	9
fragment	9
interactions	9
pharmacophore	9
receptor	9
structural_bioinformatics	9
1paper	8
benchmark	8
drug_discovery	8
electrostatics	8
evolution	8
hiv	8
predict	8
programs	8
protein_dynamics	8
protein_protein	8
surflex	8
validation	8
virtualscreening	8
cheminformatics	7
db	7
library	7
model	7

Group: TSRI_MGL - with tag docking [38 articles] Export

Related Tags