CiteULike: apostola's Lengauer:T [4 articles]

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	Derivation of a scoring function for crystal structure prediction. [My Copy] Acta crystallographica. Section A, Foundations of crystallography, Vol. 57, No. Pt 4. (July 2001), pp. 442-450. by J. Apostolakis, D. W. Hofmann, T. Lengauer posted to classification eigen by apostola on 2008-12-05 09:47:26 as
	Two-stage method for protein-ligand docking. [My Copy] J Med Chem, Vol. 42, No. 21. (21 October 1999), pp. 4422-4433. by D. Hoffmann, B. Kramer, T. Washio, T. Steinmetzer, M. Rarey, T. Lengauer posted to pb scoring by apostola on 2008-01-03 21:09:42 as
	Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies [My Copy] J. Chem. Inf. Model., Vol. 46, No. 2. (27 March 2006), pp. 903-911. by A. Kamper, J. Apostolakis, M. Rarey, C. M. Marian, T. Lengauer posted to ar artificial docking eigen inverse receptors by apostola on 2007-12-03 20:02:08 as along with 1 person peprovy
	Improved cyclodextrin-based receptors for camptothecin by inverse virtual screening. [My Copy] Chemistry, Vol. 13, No. 24. (2007), pp. 6801-6809. by A. Steffen, C. Thiele, S. Tietze, et al.C. Strassnig, A. Kämper, T. Lengauer, G. Wenz, J. Apostolakis posted to cyclodextrin eigen inverse screening by apostola on 2007-12-03 19:59:53 as

docking	13
eigen	12
screening	9
inverse	9
similarity	9
pharmacophore	8
homdock	5
solvation	5
basics	4
approximation	4
implicit	4
nn	4
free	4
tsa	4
metabolomics	4
poisson	4
energy	4
graph	3
reaction	3
potentials	3
clustering	3
reduced	3
cyclodextrin	3
classification	3
pmf	3
crystallography	3
scaffold	3
qsar	2
proteomics	2
comfa	2
kinases	2
chemical	2
catalysis	2
guided	2
scoring	2
artificial	2
autodock	2
kie	2
mc	2
fingerprint	2
flexible	1
kohonen	1
fit	1
kinase	1
microrna	1
flavonoids	1
metrics	1
drosophila	1
threading	1
combine	1
receptor	1
protein	1
distance	1
comparison	1
enthalpy	1
decision	1
regression	1
effects	1
algorithm	1
repositioning	1
glamdock	1
textmining	1
carlo	1
bayes	1
function	1
overlay	1
induced	1
interaction	1
side	1
mutants	1
pb	1
genetic	1
filter	1
druggable	1
proteome	1
applications	1
folding	1
mapping	1
entropy	1
cycle	1
hopping	1
field	1
boltzmann	1
tree	1
mcs	1
ar	1
receptors	1
hydrophobic	1
clinical	1
antibacterial	1
its	1
e-dragon	1
move	1
dock4	1
enzyme	1
statistical	1
pharmacogenomics	1
gsk	1
inhibitors	1
monte	1
sp	1
prediction	1
combination	1
pmcd	1
chips	1
force	1
biotechnology	1
svm	1
screen	1
thermodynamic	1
transition	1
eudoc	1
state	1
fragment	1
topological	1
camptothecin	1
problems	1
peptides	1
hts	1
hydrophobicity	1

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