LamBras's Schuffenhauer:A [3 articles] Export

Recent papers posted to LamBras's library by the author Schuffenhauer:A. You can also see everyone's Schuffenhauer:A.

	Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures. [My Copy] Org Biomol Chem, Vol. 2, No. 22. (21 November 2004), pp. 3256-3266. by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to virtuak_screening by LamBras on 2009-03-01 14:21:41 as
	Charting biologically relevant chemical space: a structural classification of natural products (SCONP). [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 48. (29 November 2005), pp. 17272-17277. by Marcus A. Koch, Ansgar Schuffenhauer, Michael Scheck, et al.Stefan Wetzel, Marco Casaulta, Alex Odermatt, Peter Ertl, Herbert Waldmann posted to chemicalspace cheminformatics by LamBras on 2009-02-15 19:59:58 as along with 2 people higueruelo jerome_ucsf_slb
	Complex molecules: do they add value? [My Copy] Current Opinion in Chemical Biology, Vol. 9, No. 3. (June 2005), pp. 310-316. by P. Selzer, H. Roth, P. Ertl, A. Schuffenhauer posted to fingerprints by LamBras on 2008-12-20 16:52:13 as

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flexibility	61
md	61
serinracemase	58
nmda	58
docking	53
virtual_screening	45
adme	30
drugdesign	26
review	19
scoring	18
cheminformatics	14
trna	13
bayesian	12
muscarinic	12
free_energy	12
sidechain	12
ion_channels	12
library_design	10
homology_modeling	9
targeted_md	8
normal_modes	8
nr1	7
rotamers	7
sar	7
conformers	6
gpcr	6
xray	5
forcefield	5
clustering	5
nmr	5
herg	4
surface	4
water_replacement	4
proteins	4
druglike	4
alzheimer	3
hts	3
fingerprints	3
ensemble	3
chemicalspace	3
scaffoldhopping	3
shape	2
similarity	2
correlation	2
racemase	2
lipophilicity	2
dynamics	2
mmpbsa	2
hd	2
graph	2
pipelining	2
validation	1
allosteric	1
x-ray	1
denovo	1
r1	1
induced_fit	1
schroedinger	1
de_novo	1
qsar	1
ppb	1
m1m2	1
virtuak_screening	1
itc	1

LamBras's Schuffenhauer:A [3 articles] Export

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