LamBras's cheminformatics [14 articles] Export

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	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
	Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 43, No. 1. (1 January 2003), pp. 218-227. by Miklos Feher, Jonathan M. Schmidt posted to chemicalspace cheminformatics by LamBras on 2009-02-15 19:59:26 as along with 1 person jxl
	Chemical space navigation in lead discovery [My Copy] Current Opinion in Chemical Biology, Vol. 6, No. 3. (1 June 2002), pp. 384-389. by T. Oprea posted to cheminformatics clustering by LamBras on 2009-02-15 19:27:17 as along with 2 people npt11tpn Scis0000002
	ChemGPS-NPWeb: chemical space navigation online [My Copy] Journal of Computer-Aided Molecular Design by Josefin Rosén, Anders Lövgren, Thierry Kogej, Sorel Muresan, Johan Gottfries, Anders Backlund posted to cheminformatics clustering by LamBras on 2009-02-15 19:21:18 as along with 1 person sorelmuresan
	Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers [My Copy] Molecular Diversity, Vol. 10, No. 3. (August 2006), pp. 389-403. by Monge, Aurelien, Arrault, et al. Alban, Marot, Christophe, Morin-Allory, Luc posted to cheminformatics by LamBras on 2009-02-09 14:03:12 as along with 1 person sschurer
	Chemical space and biology [My Copy] Nature, Vol. 432, No. 7019. (16 December 2004), pp. 824-828. by Christopher M. Dobson posted to chemicalspace cheminformatics by LamBras on 2008-12-20 15:57:33 as along with 6 people and 3 groups jxl VGreiff bertelsen kuhn marcius caporaso biomedical-nlp BioinfoCIPF SGU-CIPF
	Navigating chemical space for biology and medicine [My Copy] Nature, Vol. 432, No. 7019. (15 December 2004), pp. 855-861. by Christopher Lipinski, Andrew Hopkins posted to cheminformatics by LamBras on 2008-12-20 15:57:14 as along with 11 people and 5 groups TimRooney nicklynch sameersoi Effie BragilMassoud kuhn jxl marcius caporaso blackbart jerome_ucsf_slb NaCTeM EC biomedical-nlp BioinfoCIPF SGU-CIPF
	Comparison of algorithms for dissimilarity-based compound selection [My Copy] Journal of Molecular Graphics and Modelling, Vol. 15, No. 6. (December 1997), pp. 372-385. by Michael Snarey, Nicholas K. Terrett, Peter Willett, David J. Wilton posted to cheminformatics clustering library_design virtual_screening by LamBras on 2008-09-17 14:23:36 as along with 3 people cen4ik elvinado sithmein
	Machine Learning for In Silico Virtual Screening and Chemical Genomics: New Strategies [My Copy] Combinatorial Chemistry & High Throughput Screening, Vol. 11, No. 8. (September 2008), pp. 677-685. by Vert, Jean-Philippe, Jacob, Laurent posted to cheminformatics virtual_screening by LamBras on 2008-09-16 12:32:33 as
	A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. [My Copy] J Med Chem, Vol. 45, No. 8. (11 April 2002), pp. 1712-1722. by S. L. McGovern, E. Caselli, N. Grigorieff, B. K. Shoichet posted to cheminformatics drugdesign druglike sar virtual_screening by LamBras on 2008-09-08 15:07:07 as along with 2 people and 2 groups lna sangeetha Bioinformatics insilicodrug
	Comparison of Topological, Shape, and Docking Methods in Virtual Screening. [My Copy] J Chem Inf Model (26 June 2007) by Georgia B. McGaughey, Robert P. Sheridan, Christopher I. Bayly, et al.J C. Culberson, Constantine Kreatsoulas, Stacey Lindsley, Vladimir Maiorov, Jean-Francois F. Truchon, Wendy D. Cornell posted to cheminformatics docking drugdesign virtual_screening by LamBras on 2008-09-08 15:06:31 as along with 6 people and 1 group BragilMassoud daevans steff83 middledomain ucbcjbm thanatos Computer Aided Drug Design
	Drug-like properties and the causes of poor solubility and poor permeability [My Copy] Journal of Pharmacological and Toxicological Methods, Vol. 44, No. 1. ( 2000), pp. 235-249. by Christopher A. Lipinski posted to adme cheminformatics drugdesign druglike library_design virtual_screening by LamBras on 2008-08-19 10:35:04 as
	Recent Advances in Chemoinformatics [My Copy] J Chem Inf Model (2007) by Dimitris Agrafiotis, Deepak Bandyopadhyay, Jã¶rg Wegner, Herman Vlijmen posted to cheminformatics review by LamBras on 2008-03-15 16:27:08 as
	Recent Advances in Chemoinformatics. [My Copy] J Chem Inf Model (19 May 2007) by Dimitris K. Agrafiotis, Deepak Bandyopadhyay, Jörg K. Wegner, Herman V. Vlijmen posted to cheminformatics review by LamBras on 2008-02-24 17:29:57 as along with 6 people and 4 groups nsyafiqah9 Scis0000002 elvinado jxl joergkurtwegner daevans EC Molecular-Modelling Drug-Design Cheminformatics

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

LamBras's cheminformatics [14 articles] Export

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