yongzhao's potential_app [10 articles] Export

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	Ensemble docking of multiple protein structures: Considering protein structural variations in molecular docking [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 66, No. 2. (9 November 2007), pp. 399-421. by Sheng-You Huang, Xiaoqin Zou posted to cross_docking flex multiple potential_app by yongzhao on 2007-01-08 18:29:14 as along with 8 people and 2 groups nickolay oteri AliceWang BragilMassoud bicko kazemi hmk LamBras Structural Biology Group TorVergata TSRI_MGL
	Application of CoMFA and CoMSIA 3D-QSAR and Docking Studies in Optimization of Mercaptobenzenesulfonamides as HIV-1 Integrase Inhibitors [My Copy] J. Med. Chem., Vol. 47, No. 2. (15 January 2004), pp. 385-399. by C. L. Kuo, H. Assefa, S. Kamath, et al.Z. Brzozowski, J. Slawinski, F. Saczewski, J. K. Buolamwini, N. Neamati posted to hiv hivin potential_app by yongzhao on 2006-12-11 18:30:24 as along with 1 group TSRI_MGL
	How Different are Structurally Flexible and Rigid Binding Sites? Sequence and Structural Features Discriminating Proteins that Do and Do not Undergo Conformational Change upon Ligand Binding. [My Copy] J Mol Biol (29 September 2006) by Kannan Gunasekaran, Ruth Nussinov posted to potential_app loop by yongzhao on 2006-11-21 19:00:57 as along with 10 people and 1 group aqeel reyez BragilMassoud dgruiz radestock lna choonpeng weisblum higueruelo nickolay TSRI_MGL
	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
	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 on 2006-09-08 01:51:42 as along with 3 people and 1 group BragilMassoud kazemi naitsabes TSRI_MGL
	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 on 2006-06-08 20:25:24 as along with 4 people and 1 group flbarroso BragilMassoud blackbart ramensky TSRI_MGL
	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 on 2006-03-03 18:41:21 as along with 6 people and 3 groups oteri BragilMassoud apaydin sangeetha daevans kazemi Bioinformatics TSRI_MGL 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 on 2006-02-23 21:56:40 as along with 5 people and 5 groups oteri marcius sangeetha insilico schuwi Bioinformatics TSRI_MGL insilicodrug BioinfoCIPF SGU-CIPF
	Structure-Based QSAR Analysis of a Set of 4-Hydroxy-5,6-dihydropyrones as Inhibitors of HIV-1 Protease: An Application of the Receptor-Dependent (RD) 4D-QSAR Formalism. [My Copy] J Chem Inf Model, Vol. 46, No. 1. (b 2006), pp. 345-354. by O. A. Santos-Filho, A. J. Hopfinger posted to hiv potential_app by yongzhao on 2006-01-31 17:47:45 as along with 1 group TSRI_MGL
	X-ray Structure of the EmrE Multidrug Transporter in Complex with a Substrate [My Copy] Science, Vol. 310, No. 5756. (23 December 2005), pp. 1950-1953. by Owen Pornillos, Yen-Ju Chen, Andy P. Chen, Geoffrey Chang posted to potential_app by yongzhao on 2006-01-10 23:35:06 as along with 1 person and 1 group viktor21614 TSRI_MGL

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docking	37
docking_design	21
flex	19
screening	16
induced_fit	11
loop	10
potential_app	10
cross_docking	8
cryoem	8
hiv	8
review	8
side_chain	8
normal_mode_analysis	7
ga	5
library	5
mine	5
multiple	5
score	5
hivin	4
conformation_sampling	3
domain_analysis	3
p450	3
search	3
essential_dynamics	2
rotamer_lib	2
shape	2
autodock	1
bace	1
colony_energy	1
database	1
essential-dynamics	1
gaussian_network_model	1
ligand	1
ligand_based	1
metadynamics	1
molecular_dynamics	1
motion_database	1
protein_protein_docking	1
qsar	1
reranking	1
rmsd	1
rt	1
sampling	1
structures	1
t_cell	1
visualization	1

yongzhao's potential_app [10 articles] Export

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