nickolay's similarity [8 articles] Export

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

	Finding Key Members in Compound Libraries by Analyzing Networks of Molecules Assembled by Structural Similarity [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (30 October 0000), 091030094710018. by Zsolt Lepp, Chunfei Huang, Takashi Okada posted to similarity nov09 network molecule ligand compound_libraries cheminformatics by nickolay on 2009-11-03 20:39:55 as along with 1 person massivemayhem
	A Mapping of Drug Space from the Viewpoint of Small Molecule Metabolism [My Copy] PLoS Comput Biol, Vol. 5, No. 8. (21 August 2009), e1000474. by James C. Adams, Michael J. Keiser, Li Basuino, et al.Henry F. Chambers, Deok-Sun Lee, Olaf G. Wiest, Patricia C. Babbitt posted to nov09 target similarity network metabolism ligand drug action by nickolay on 2009-10-08 19:20:47 as along with 8 people and 1 group sobolevnrm klexa bdessailly pablocarb ptrobajo biomcgary reyez thomaskelder Orengo Group Journal Picks
	An Intersection Inequality Sharper than the Tanimoto Triangle Inequality for Efficiently Searching Large Databases [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 8. (24 August 2009), pp. 1866-1870. by Pierre Baldi, Daniel S. Hirschberg posted to tanimoto similarity oct09 ligand cheminformatics by nickolay on 2009-10-07 01:36:53 as
	A simple and fuzzy method to align and compare druggable ligand-binding sites [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Claire Schalon, Jean-Sébastien Surgand, Esther Kellenberger, Didier Rognan posted to algorithm binding bsc comparison fingerprint protein similarity site by nickolay on 2008-08-27 14:14:35 as along with 3 people tjimenez bicko willpitt
	Protein structure alignment considering phenotypic plasticity [My Copy] Bioinformatics, Vol. 24, No. 16. (15 August 2008), pp. i98-104. by Gergely Csaba, Fabian Birzele, Ralf Zimmer posted to algorithm alignment flexibility protein similarity structure wrmsd by nickolay on 2008-08-19 20:53:48 as
	From the Similarity Analysis of Protein Cavities to the Functional Classification of Protein Families Using Cavbase [My Copy] Journal of Molecular Biology, Vol. 359, No. 4. (16 June 2006), pp. 1023-1044. by Daniel Kuhn, Nils Weskamp, Stefan Schmitt, Eyke Hullermeier, Gerhard Klebe posted to algorithm binding bsc comparison physicochemical similarity site by nickolay on 2008-07-08 15:03:05 as along with 2 people apaydin stege
	Analysis of binding site similarity, small-molecule similarity and experimental binding profiles in the human cytosolic sulfotransferase family. [My Copy] Bioinformatics, Vol. 23, No. 2. (15 January 2007) by R. J. Najmanovich, A. Allali-Hassani, R. J. Morris, et al.L. Dombrovsky, P. W. Pan, M. Vedadi, A. N. Plotnikov, A. Edwards, C. Arrowsmith, J. M. Thornton posted to binding bsc cmoparison protein review similarity site structure by nickolay on 2008-07-08 14:47:52 as along with 1 person grottenolm
	Do Structurally Similar Ligands Bind in a Similar Fashion? [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 23. (1 November 2006), pp. 6716-6725. by Jonas Bostrom, Anders Hogner, Stefan Schmitt posted to binding bsc comparison dds ligand protein similarity site structure by nickolay on 2008-07-08 14:24:45 as along with 4 people klexa schlauchi daevans superpyrin

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p2	56
binding	47
protein	42
algorithm	35
protein-ligand	32
to-be-tagged	31
structure	29
site	28
prediction	25
bibtex-import	22
structure-function	17
surface	17
database	16
docking	16
bsc	14
review	14
application	13
ligand	13
nov09	13
protein-protein	13
p1	12
identification	11
alignment	10
comparison	10
binding-site-analysis	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
drug	5
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
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
binding_site	2
chemistry	2
classification	2
clique	2
concavity	2
dd	2
dds	2
information-theory	2
insulin	2
insulin-sensitivity	2
knowledge-based-potentials	2
lead_optimization	2
machine-learning	2
mapping	2
moe	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
bioactivity	1
biological_relevance	1
calatytic	1
catalysis	1
charmm	1
classifier	1
clustering	1
cmoparison	1
compound_libraries	1
computational	1
conservation	1
data	1
data-integration	1
de-novo	1
distance	1
drug_discovery_and_development	1
electrostatics	1
energy_minimization	1
fingerprint	1
folding	1
gi	1
gometry-based	1
gpcr	1
graph	1
hinge	1
hot_spots	1
hyfrophobic-effect	1
indentification	1
industry	1
itc	1
kinase	1
lab	1
ligand-volume	1
localization	1
mc	1
metabolism	1
metabolome	1
metric	1
mining	1
model	1
molecule	1
multiple	1
multiple_structural_alignment	1
neural	1
ontology	1
opinion	1
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pca	1
pharmacophore	1
property	1
python	1
qsar	1
r	1
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residue	1
scoring	1
screening	1
server	1
shape	1
simulation	1
tanimoto	1
target	1
topology	1
visualization	1
web-based	1

nickolay's similarity [8 articles] Export

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