LamBras's drugdesign [26 articles] Export

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

	Current trends in lead discovery: Are we looking for the appropriate properties? [My Copy] Molecular Diversity, Vol. 5, No. 4. (1 December 2000), pp. 199-208. by Tudor I. Oprea posted to drugdesign review virtual_screening by LamBras on 2008-12-21 13:32:44 as
	Voyages to the (un)known: adaptive design of bioactive compounds [My Copy] Trends in Biotechnology (10 November 2008) by G. Schneider, M. Hartenfeller, M. Reutlinger, Y. Tanrikulu, E. Proschak, P. Schneider posted to denovo drugdesign by LamBras on 2008-12-21 12:51:49 as
	From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective. [My Copy] Current opinion in drug discovery & development, Vol. 11, No. 4. (July 2008), pp. 559-568. by U. Rester posted to drugdesign virtual_screening by LamBras on 2008-12-21 12:51:07 as along with 1 person tbinbal
	Drug Design Strategies for Targeting G-Protein-Coupled Receptors13 [My Copy] ChemBioChem, Vol. 3, No. 10. (2002), pp. 928-944. by Thomas Klabunde, Gerhard Hessler posted to drugdesign gpcr by LamBras on 2008-12-16 10:00:04 as
	New method for fast and accurate binding-site identification and analysis. [My Copy] Chemical biology & drug design, Vol. 69, No. 2. (February 2007), pp. 146-148. by T. Halgren posted to drugdesign schroedinger surface by LamBras on 2008-11-05 12:40:35 as along with 1 person ramensky
	Limitations and lessons in the use of X-ray structural information in drug design [My Copy] Drug Discovery Today, Vol. 13, No. 19-20. (October 2008), pp. 831-841. by Andrew M. Davis, Stephen A. St-Gallay, Gerard J. Kleywegt posted to drugdesign x-ray by LamBras on 2008-10-01 14:32:48 as
	Computer-aided drug design: the next 20 years [My Copy] Journal of Computer-Aided Molecular Design, Vol. 21, No. 10. (15 October 2007), pp. 591-601. by John Van Drie posted to drugdesign review virtual_screening by LamBras on 2008-09-22 16:42:00 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 conformers docking drugdesign scoring virtual_screening by LamBras on 2008-09-22 15:19:43 as
	Target Flexibility: An Emerging Consideration in Drug Discovery and Design [My Copy] Journal of Medicinal Chemistry (2008) by Pietro Cozzini, Glen E. Kellogg, Francesca Spyrakis, et al.Donald J. Abraham, Gabriele Costantino, Andrew Emerson, Francesca Fanelli, Holger Gohlke, Leslie A. Kuhn, Garrett M. Morris, Modesto Orozco, Thelma A. Pertinhez, Menico Rizzi, Christoph A. Sotriffer posted to drugdesign flexibility review by LamBras on 2008-09-16 10:26:15 as
	Molecular lipophilicity in protein modeling and drug design. [My Copy] Curr Med Chem, Vol. 14, No. 4. (2007), pp. 393-415. by R. G. Efremov, A. O. Chugunov, T. V. Pyrkov, J. P. Priestle, A. S. Arseniev, E. Jacoby posted to drugdesign lipophilicity by LamBras on 2008-09-08 15:20:35 as along with 1 person lna
	Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods [My Copy] J. Chem. Inf. Model. (27 February 2008) by H. S. Lee, J. Choi, I. Kufareva, et al.R. Abagyan, A. Filikov, Y. Yang, S. Yoon posted to docking drugdesign virtual_screening by LamBras on 2008-09-08 15:07:34 as along with 1 person middledomain
	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
	Can we use docking and scoring for hit-to-lead optimization? [My Copy] Journal of Computer-Aided Molecular Design, Vol. 22, No. 3. (16 March 2008), pp. 161-168. by Istvan Enyedy, William Egan posted to docking drugdesign virtual_screening by LamBras on 2008-08-26 10:31:24 as
	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
	Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings [My Copy] Advanced Drug Delivery Reviews, Vol. 46, No. 1-3. (1 March 2001), pp. 3-26. by Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy, Paul J. Feeney posted to adme drugdesign druglike library_design sar virtual_screening by LamBras on 2008-08-19 10:33:25 as along with 2 people and 2 groups caporaso samjlord biomedical-nlp moernerlab
	BREED: Generating Novel Inhibitors through Hybridization of Known Ligands. Application to CDK2, P38, and HIV Protease [My Copy] J. Med. Chem., Vol. 47, No. 11. (20 May 2004), pp. 2768-2775. by A. C. Pierce, G. Rao, G. W. Bemis posted to de_novo drugdesign by LamBras on 2008-08-14 10:55:50 as
	Validation and use of the MM-PBSA approach for drug discovery. [My Copy] J Med Chem, Vol. 48, No. 12. (16 June 2005), pp. 4040-4048. by B. Kuhn, P. Gerber, T. Schulz-Gasch, M. Stahl posted to drugdesign mmpbsa by LamBras on 2008-08-06 13:57:54 as along with 4 people and 1 group BragilMassoud apostola mleis gcaltabiano LabCompMed
	Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling [My Copy] Bioorganic & Medicinal Chemistry, Vol. 16, No. 6. (15 March 2008), pp. 2968-2973. by Scott D. Bembenek, John M. Keith, Michael A. Letavic, et al.Richard Apodaca, Ann J. Barbier, Lisa Dvorak, Leah Aluisio, Kirsten L. Miller, Timothy W. Lovenberg, Nicholas I. Carruthers posted to alzheimer drugdesign virtual_screening by LamBras on 2008-08-05 08:07:34 as
	Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases [My Copy] ChemMedChem, Vol. 3, No. 3. (6 December 2007), pp. 435-444. by Ruth posted to drugdesign library_design virtual_screening by LamBras on 2008-03-20 19:16:30 as
	Implications of protein flexibility for drug discovery [My Copy] Nat Rev Drug Discov, Vol. 2, No. 7. (2003), pp. 527-541. by S. J. Teague posted to drugdesign flexibility by LamBras on 2008-03-15 16:27:11 as
	DRUG RESEARCH: MYTHS, HYPE AND REALITY [My Copy] Nat Rev Drug Discov, Vol. 2, No. 8. (2003), pp. 665-668. by Hugo Kubinyi posted to drugdesign review by LamBras on 2008-03-15 16:27:10 as
	Drug discovery: a historical perspective [My Copy] Science, Vol. 287, No. 5460. (2000), pp. 1960-1964. by J. Drews posted to drugdesign review by LamBras on 2008-03-15 16:27:08 as
	Drug discovery: a historical perspective. [My Copy] Science, Vol. 287, No. 5460. (17 March 2000), pp. 1960-1964. by J. Drews posted to drugdesign review by LamBras on 2008-02-24 17:28:12 as along with 12 people and 5 groups jbesnard Yanno BragilMassoud nachtalp kuhn Borelli sangeetha joergkurtwegner jdiggans ramensky srp33 yaredo Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug
	DRUG RESEARCH: MYTHS, HYPE AND REALITY [My Copy] Nat Rev Drug Discov, Vol. 2, No. 8. (2003), pp. 665-668. by Hugo Kubinyi posted to drugdesign review by LamBras on 2008-02-24 17:27:45 as along with 2 people and 3 groups joergkurtwegner massivemayhem Molecular-Modelling Drug-Design Cheminformatics
	Implications of protein flexibility for drug discovery. [My Copy] Nat Rev Drug Discov, Vol. 2, No. 7. (July 2003), pp. 527-541. by S. J. Teague posted to drugdesign flexibility by LamBras on 2007-11-20 12:44:51 as along with 5 people aqeel simone yiban kazemi higueruelo

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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 drugdesign [26 articles] Export

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