nickolay's docking [16 articles] Export

Recent papers added to nickolay's library classified by the tag docking. You can also see everyone's docking.

	Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Pablo Englebienne, Nicolas Moitessier posted to solvent prediction nov09 ligand flexibility docking affinity by nickolay on 2009-11-03 20:35:14 as
	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 p2 docking by nickolay on 2009-09-10 15:31:39 as along with 8 people and 2 groups oteri AliceWang BragilMassoud bicko yongzhao kazemi hmk LamBras Structural Biology Group TorVergata TSRI_MGL
	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 p2 docking by nickolay on 2009-09-10 15:23:13 as along with 22 people and 2 groups npt11tpn jamalex joule lna Lombardo_7 karinaecomp oteri A_Coletta_Thesis arlam dgruiz nachtalp P2324548 yongzhao peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain LamBras andreramme UVA_mag_res Chang group TSRI_MGL
	DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases [My Copy] Journal of Computer-Aided Molecular Design, Vol. 15, No. 5. (1 May 2001), pp. 411-428. by Todd J. A. Ewing, Shingo Makino, A. Geoffrey Skillman, Irwin D. Kuntz posted to p2 docking by nickolay on 2009-09-10 15:21:44 as along with 1 person willpitt
	A Model Binding Site for Testing Scoring Functions in Molecular Docking [My Copy] Journal of Molecular Biology, Vol. 322, No. 2. (13 September 2002), pp. 339-355. by Binqing Q. Wei, Walter A. Baase, Larry H. Weaver, Brian W. Matthews, Brian K. Shoichet posted to p2 docking by nickolay on 2009-09-09 23:57:20 as
	Lead optimization via high-throughput molecular docking. [My Copy] Current opinion in drug discovery & development, Vol. 10, No. 3. (May 2007), pp. 264-274. by Diane Joseph-McCarthy, J. Christian Baber, Eric Feyfant, David C. Thompson, Christine Humblet posted to p2 lead_optimization docking by nickolay on 2009-09-09 21:50:09 as along with 2 people flbarroso superpyrin
	Lead discovery using molecular docking [My Copy] Current Opinion in Chemical Biology, Vol. 6, No. 4. (1 August 2002), pp. 439-446. by B. Shoichet posted to p2 lead_discovery docking by nickolay on 2009-09-09 21:47:05 as
	Structure-based virtual screening: an overview [My Copy] Drug Discovery Today, Vol. 7, No. 20. (15 October 2002), pp. 1047-1055. by Paul D. Lyne posted to cadd docking protein-ligand review virtual-screening by nickolay on 2006-02-23 21:55:26 as along with 2 people LamBras mmuecke
	Ligand binding: functional site location, similarity and docking [My Copy] Current Opinion in Structural Biology, Vol. 13, No. 3. (June 2003), pp. 389-395. by Stephen J. Campbell, Nicola D. Gold, Richard M. Jackson, David R. Westhead posted to bs-similarity docking protein-ligand review scoring-functions by nickolay on 2006-02-23 21:52:39 as
	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 scoring-functions review p2 docking by nickolay on 2006-02-23 21:49:56 as along with 25 people and 4 groups rabio ucbcjbm flbarroso csrocha oteri timg dgruiz cantupaz apaydin bicko chad_davis yongzhao ttjoseph ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Evangelia nigham Structural Biology Group TorVergata Bioinformatics TSRI_MGL insilicodrug
	Novel statistical-thermodynamic methods to predict protein-ligand binding positions using probability distribution functions. [My Copy] Proteins (14 November 2005) by A M M. Ruvinsky, A V V. Kozintsev posted to docking prediction protein-ligand thermodynamics by nickolay on 2006-01-20 20:24:52 as along with 1 person BragilMassoud
	Assessment of multiple binding modes in ligand-protein docking. [My Copy] J Med Chem, Vol. 47, No. 13. (17 June 2004), pp. 3334-3337. by P. Källblad, R. L. Mancera, N. P. Todorov posted to binding docking protein-ligand by nickolay on 2005-12-16 16:14:11 as along with 1 person nachtalp
	Recovering the true targets of specific ligands by virtual screening of the protein data bank. [My Copy] Proteins, Vol. 54, No. 4. (1 March 2004), pp. 671-680. by N. Paul, E. Kellenberger, G. Bret, P. Müller, D. Rognan posted to docking pdb protein-ligand virtual-screening by nickolay on 2005-12-06 02:12:24 as along with 2 people BragilMassoud insilico
	PostDOCK: a structural, empirical approach to scoring protein ligand complexes. [My Copy] J Med Chem, Vol. 48, No. 22. (3 November 2005), pp. 6821-6831. by C. Springer, H. Adalsteinsson, M. M. Young, P. W. Kegelmeyer, D. C. Roe posted to application docking machine-learning pdb protein-ligand surface by nickolay on 2005-12-06 01:52:55 as along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
	Geometry-based flexible and symmetric protein docking. [My Copy] Proteins, Vol. 60, No. 2. (Aug 2005), pp. 224-231. by Dina S. Duhovny, Yuval Inbar, Ruth Nussinov, Haim J. Wolfson posted to bibtex-import docking flexibility geometry-based by nickolay on 2005-12-05 16:21:23 as
	Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking. [My Copy] Curr Med Chem, Vol. 11, No. 1. (Jan 2004), pp. 91-107. by Dina S. Duhovny, Ruth Nussinov, Haim J. Wolfson posted to bibtex-import cadd docking prediction protein-ligand protein-protein review by nickolay on 2005-12-05 16:16:10 as

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p2	56
binding	47
protein	42
algorithm	34
protein-ligand	32
to-be-tagged	31
structure	29
site	28
prediction	25
bibtex-import	22
structure-function	17
database	16
docking	16
surface	16
bsc	14
review	14
application	13
ligand	13
nov09	13
protein-protein	13
p1	12
identification	11
alignment	10
binding-site-analysis	9
comparison	9
method	9
pattern	9
pdb	9
residue-conservation	9
aa-propensity	8
flexibility	8
moad	8
similarity	8
bs-similarity	7
wrmsd	7
hot-spots	6
geometric-hashing	5
msa	5
props	5
scoring-functions	5
sep09	5
structure-searching	5
thermodynamics	5
amino-acids	4
cheminformatics	4
domain-classification	4
drug	4
function	4
geometric	4
geometry-based	4
interaction	4
network	4
protein-interface	4
side-chains	4
software	4
structure-classification	4
affinity	3
cadd	3
enzyme	3
evolution	3
force-field	3
graph-theory	3
lead_discovery	3
molecular_dynamics	3
oct09	3
printed	3
sequence	3
small	3
superposition	3
aug09	2
chemistry	2
clique	2
concavity	2
dd	2
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insulin	2
insulin-sensitivity	2
knowledge-based-potentials	2
lead_optimization	2
machine-learning	2
moe	2
molecule	2
physicochemical	2
similarity-network	2
solvent	2
structural	2
structural-conservation	2
structure-activity	2
virtual-screening	2
action	1
allostery	1
amber	1
aromatics	1
basal-glucose	1
beta-cells	1
binding_site	1
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calatytic	1
catalysis	1
charmm	1
classification	1
classifier	1
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cmoparison	1
compound_libraries	1
computational	1
conservation	1
data	1
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de-novo	1
distance	1
drug_discovery_and_development	1
electrostatics	1
energy_minimization	1
fingerprint	1
folding	1
gi	1
gometry-based	1
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hinge	1
hot_spots	1
hyfrophobic-effect	1
indentification	1
industry	1
itc	1
kinase	1
lab	1
ligand-volume	1
localization	1
mapping	1
mc	1
metabolism	1
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metric	1
mining	1
model	1
multiple	1
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r	1
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scoring	1
screening	1
server	1
simulation	1
tanimoto	1
target	1
topology	1
visualization	1
web-based	1

nickolay's docking [16 articles] Export

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