LamBras's library 408 articles Export

	5-aminomethylquinoxaline-2,3-diones. Part II: N-aryl derivatives as novel NMDA/glycine and AMPA antagonists [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 8, No. 1. (06 January 1998), pp. 71-74. by Y. Auberson posted to nmda by LamBras on 2009-03-29 12:58:40 as
	ADME–Tox in drug discovery: integration of experimental and computational technologies [My Copy] Drug Discovery Today, Vol. 8, No. 18. (15 September 2003), pp. 852-861. by H. Yu posted to no-tag by LamBras on 2009-03-14 20:05:52 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 no-tag by LamBras on 2009-03-14 19:45:30 as along with 2 people nickolay mmuecke
	Support vector machine applications in bioinformatics. [My Copy] Appl Bioinformatics, Vol. 2, No. 2. (2003), pp. 67-77. by E. Byvatov, G. Schneider posted to no-tag by LamBras on 2009-03-14 19:41:02 as along with 2 people mlmomo johnkork
	Artificial neural networks for computer-based molecular design [My Copy] Progress in Biophysics and Molecular Biology, Vol. 70, No. 3. (November 1998), pp. 175-222. by G. Schneider posted to no-tag by LamBras on 2009-03-14 19:37:35 as along with 1 person and 1 group A_Coletta_Thesis Structural Biology Group TorVergata
	Virtual screening and fast automated docking methods [My Copy] Drug Discovery Today, Vol. 7 (January 2002), pp. 64-70. by G. Schneider posted to no-tag by LamBras on 2009-03-14 19:16:36 as along with 1 person npt11tpn
	Whole cell and single channel analysis of the kinetics of glycine-sensitive N-methyl-D-aspartate receptor desensitization. [My Copy] British journal of pharmacology, Vol. 109, No. 1. (May 1993), pp. 213-221. by C. G. Parsons, X. Zong, H. D. Lux posted to no-tag by LamBras on 2009-03-14 18:31:31 as
	Evidence for the interaction of glutamate and NK1 receptors in the periphery [My Copy] Brain Research, Vol. 790, No. 1-2. (20 April 1998), pp. 160-169. by S. Carlton, S. Zhou, R. Coggeshall posted to no-tag by LamBras on 2009-03-14 17:51:21 as
	Localization and activation of glutamate receptors in unmyelinated axons of rat glabrous skin [My Copy] Neuroscience Letters, Vol. 197, No. 1. (September 1995), pp. 25-28. by S. Carlton posted to no-tag by LamBras on 2009-03-14 17:49:15 as
	Evidence for involvement ofN-methylaspartate receptors in ‘wind-up’ of class 2 neurones in the dorsal horn of the rat [My Copy] Brain Research, Vol. 424, No. 2. (27 October 1987), pp. 402-406. by S. Davies, D. Lodge posted to no-tag by LamBras on 2009-03-14 17:47:59 as
	Unraveling the modular design of glutamate-gated ion channels [My Copy] Trends in Neurosciences, Vol. 18, No. 4. (April 1995), pp. 161-168. by Galen posted to no-tag by LamBras on 2009-03-14 16:21:26 as
	Memantine for dementia. [My Copy] Cochrane database of systematic reviews (Online), No. 1. (2003) by S. A. Areosa, F. Sherriff posted to no-tag by LamBras on 2009-03-14 13:36:17 as
	Conformational changes associated with protein-protein interactions [My Copy] Current Opinion in Structural Biology, Vol. 14, No. 1. (February 2004), pp. 104-109. by Chern-Sing Goh, Duncan Milburn, Mark Gerstein posted to no-tag by LamBras on 2009-03-14 12:03:45 as along with 5 people flbarroso boris_aguilar apaydin bicko nigham
	FE: efficient molecular docking considering protein structure variations [My Copy] Journal of Molecular Biology, Vol. 308, No. 2. (27 April 2001), pp. 377-395. by Holger Clau[ss]en, Christian Buning, Matthias Rarey, Thomas Lengauer posted to no-tag by LamBras on 2009-03-14 11:26:54 as along with 5 people and 1 group oteri apaydin blackbart kazemi carlk Structural Biology Group TorVergata
	Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective [My Copy] Current Opinion in Structural Biology, Vol. 12, No. 2. (1 April 2002), pp. 197-203. by G. Verkhivker posted to free_energy by LamBras on 2009-03-14 10:26:30 as
	Dynamic information from protein crystallography , : An analysis of temperature factors from refinement of the hen egg-white lysozyme structure [My Copy] Journal of Molecular Biology, Vol. 130, No. 3. (25 May 1979), pp. 231-253. by M. J. E. Sternberg, D. E. P. Grace, D. C. Phillips posted to xray by LamBras on 2009-03-13 20:04:24 as along with 1 person simone
	Sulfide-Binding Hemoglobins: Effects of Mutations on Active-Site Flexibility [My Copy] Biophysical Journal, Vol. 91, No. 5. (01 September 2006), pp. 1698-1709. by S. Fernandezalberti, D. Bacelo, R. Binningjr, J. Echave, M. Chergui, J. Lopezgarriga posted to flexibility md by LamBras on 2009-03-13 18:38:22 as
	Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems. [My Copy] Journal of molecular graphics & modelling, Vol. 16, No. 4-6. (c 1998) by J. Marelius, K. Kolmodin, I. Feierberg, J. Aqvist posted to md by LamBras on 2009-03-11 17:49:50 as along with 1 person npt11tpn
	Recent advances in the development and application of implicit solvent models in biomolecule simulations [My Copy] Current Opinion in Structural Biology, Vol. 14, No. 2. (April 2004), pp. 217-224. by M. Feig posted to md by LamBras on 2009-03-11 12:18:05 as along with 6 people and 2 groups flbarroso apostola ttjoseph marcius gane5h RamuAnandakrishnan BioinfoCIPF SGU-CIPF
	Electrostatics calculations: latest methodological advances. [My Copy] Current opinion in structural biology, Vol. 16, No. 2. (13 April 2006), pp. 142-151. by Patrice Koehl posted to md by LamBras on 2009-03-11 12:09:42 as along with 7 people oteri r2s2 flbarroso BragilMassoud qwermish RamuAnandakrishnan jteyra
	Dynamics of folded proteins. [My Copy] Nature, Vol. 267, No. 5612. (16 June 1977), pp. 585-590. by J. A. McCammon, B. R. Gelin, M. Karplus posted to md by LamBras on 2009-03-11 11:51:35 as along with 1 person dfgreen
	Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors [My Copy] J. Chem. Inf. Model., Vol. 48, No. 1. (28 January 2008), pp. 166-178. by P. Watson posted to bayesian virtual_screening by LamBras on 2009-03-02 22:17:02 as along with 1 person daevans
	Screening for Dihydrofolate Reductase Inhibitors Using MOLPRINT 2D, a Fast Fragment-Based Method Employing the Naive Bayesian Classifier: Limitations of the Descriptor and the Importance of Balanced Chemistry in Training and Test Sets [My Copy] J Biomol Screen, Vol. 10, No. 7. (1 October 2005), pp. 658-666. by Andreas Bender, Hamse Y. Mussa, Robert C. Glen posted to bayesian by LamBras on 2009-03-02 22:12:31 as
	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
	Designing libraries with CNS activity. [My Copy] Journal of medicinal chemistry, Vol. 42, No. 24. (2 December 1999), pp. 4942-4951. by Ajay, G. W. Bemis, M. A. Murcko posted to adme by LamBras on 2009-02-18 07:45:57 as
	Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs [My Copy] Pharmaceutical Research, Vol. 16, No. 10. (1 October 1999), pp. 1514-1519. by Jan Kelder, Peter D. Grootenhuis, Denis M. Bayada, Leon P. Delbressine, Jan-Peter Ploemen posted to adme by LamBras on 2009-02-18 07:40:28 as
	Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling. [My Copy] Journal of chemical information and computer sciences, Vol. 39, No. 2. (r 1999), pp. 396-404. by J. M. Luco posted to adme by LamBras on 2009-02-18 07:35:41 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
	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
	Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction [My Copy] Journal of Computer-Aided Molecular Design, Vol. 22, No. 11. (1 November 2008), pp. 843-855. by Haiyan Li, Jin Sun, Xiaowen Fan, et al.Xiaofan Sui, Lan Zhang, Yongjun Wang, Zhonggui He posted to adme sar by LamBras on 2009-01-30 08:45:10 as along with 2 people misonneh sschurer
	Identifying conformational changes of the β2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators [My Copy] Journal of Computer-Aided Molecular Design by Kimberly Reynolds, Vsevolod Katritch, Ruben Abagyan posted to conformers gpcr xray by LamBras on 2009-01-30 08:28:08 as along with 1 person zimbo1
	Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations. [My Copy] Journal of molecular biology, Vol. 325, No. 1. (3 January 2003), pp. 39-63. by P. Retailleau, X. Huang, Y. Yin, et al.M. Hu, V. Weinreb, P. Vachette, C. Vonrhein, G. Bricogne, P. Roversi, V. Ilyin, C. W. Carter posted to trna by LamBras on 2009-01-23 10:35:39 as
	Predicting plasma protein binding of drugs: a new approach [My Copy] Biochemical Pharmacology, Vol. 64, No. 9. (01 November 2002), pp. 1355-1374. by N. Kratochwil, W. Huber, F. Muller, M. Kansy, P. Gerber posted to adme ppb by LamBras on 2009-01-13 17:01:51 as
	MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. [My Copy] J Pharm Sci, Vol. 88, No. 1. (January 1999), pp. 28-33. by J. D. Irvine, L. Takahashi, K. Lockhart, et al.J. Cheong, J. W. Tolan, H. E. Selick, J. R. Grove posted to adme by LamBras on 2009-01-08 14:29:37 as along with 1 person davidng
	Experimental and computational screening models for the prediction of intestinal drug absorption. [My Copy] Journal of medicinal chemistry, Vol. 44, No. 12. (7 June 2001), pp. 1927-1937. by P. Stenberg, U. Norinder, K. Luthman, P. Artursson posted to adme by LamBras on 2009-01-08 14:15:37 as
	Correlating Partitioning and Caco-2 Cell Permeability of Structurally Diverse Small Molecular Weight Compounds [My Copy] Pharmaceutical Research (September 1998), pp. 1490-1494. by M. Yazdanian, S. L. Glynn, J. L. Wright, A. Hawi posted to adme by LamBras on 2009-01-08 14:14:54 as
	Structural Basis of the Drug-binding Specificity of Human Serum Albumin [My Copy] Journal of Molecular Biology, Vol. 353, No. 1. (14 October 2005), pp. 38-52. by Jamie Ghuman, Patricia A. Zunszain, Isabelle Petitpas, Ananyo A. Bhattacharya, Masaki Otagiri, Stephen Curry posted to adme by LamBras on 2009-01-08 13:19:00 as along with 1 person daevans
	In silico prediction of drug-binding strengths to human serum albumin. [My Copy] Medicinal research reviews, Vol. 23, No. 3. (May 2003), pp. 275-301. by G. Colmenarejo posted to adme by LamBras on 2009-01-08 13:18:50 as
	Cheminformatic models to predict binding affinities to human serum albumin. [My Copy] Journal of medicinal chemistry, Vol. 44, No. 25. (6 December 2001), pp. 4370-4378. by G. Colmenarejo, A. Alvarez-Pedraglio, J. L. Lavandera posted to adme by LamBras on 2009-01-08 12:48:01 as
	High-throughput drug discovery: what can we expect from HTS? [My Copy] Drug Discov Today, Vol. 10, No. 1. (1 January 2005), pp. 17-22. by P. Gribbon, A. Sewing posted to adme hts by LamBras on 2008-12-30 13:58:10 as along with 1 person BragilMassoud
	A Novel Series of 2-Carboxytetrahydroquinolines Provides New Insights into the Eastern Region of Glycine Site NMDA Antagonists [My Copy] Archiv der Pharmazie, Vol. 333, No. 8. (2000), pp. 267-274. by Gerd Dannhardt, Markus, Beate K. Kohl, C. G. Parsons posted to nmda by LamBras on 2008-12-22 19:44:37 as
	6,7,8,9-tetrahydro-3-hydroxy-1H-1-benzazepine-2,5-diones via a diels-alder reaction:antagonists with a non-planar hydrophobic region for NMDA receptor glycine sites [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 5, No. 22. (16 November 1995), pp. 2747-2748. by A. Guzikowski posted to nmda by LamBras on 2008-12-22 18:49:36 as
	Novel pyrrolinones as -methyl--aspartate receptor antagonists [My Copy] European Journal of Medicinal Chemistry, Vol. 40, No. 4. (April 2005), pp. 391-400. by H. Poschenrieder, H. Stachel, G. Hofner, P. Mayer posted to nmda by LamBras on 2008-12-22 18:46:07 as
	Solvent content of protein crystals. [My Copy] Journal of molecular biology, Vol. 33, No. 2. (28 April 1968), pp. 491-497. by B. W. Matthews posted to no-tag by LamBras on 2008-12-21 16:59:23 as
	A method of comparing the areas under receiver operating characteristic curves derived from the same cases [My Copy] Radiology, Vol. 148, No. 3. (1 September 1983), pp. 839-843. by Ja Hanley, Bj Mcneil posted to no-tag by LamBras on 2008-12-21 16:38:59 as along with 2 people microserf Repton
	The Protein Data Bank [My Copy] Nucl. Acids Res., Vol. 28, No. 1. (1 January 2000), pp. 235-242. by Helen M. Berman, John Westbrook, Zukang Feng, et al.Gary Gilliland, T. N. Bhat, Helge Weissig, Ilya N. Shindyalov, Philip E. Bourne posted to no-tag by LamBras on 2008-12-21 16:09:59 as along with 44 people and 5 groups krapnik barmak7282 viktor21614 badi ucbcjbm TLVincent maria_hauser Martin8223 tomjad Diego_Prada flbarroso Taguan oceanwind dsmueller fisherp semin MarcoAlvarez kumar_physics RamuAnandakrishnan nlapalu reyez nigham lillekatt thaliana dimka kuhn jwm vavi bicko itmeson dgront caporaso condon aengisch debatebob massivemayhem gisle girschick selrac tji higueruelo boris_aguilar sebk timg References for 3DSim paper Radiation_Damage Stressosome biomedical-nlp beta
	New assay technologies for high-throughput screening [My Copy] Current Opinion in Chemical Biology, Vol. 2, No. 3. (June 1998), pp. 397-403. by L. Silverman posted to hts by LamBras on 2008-12-21 13:39:05 as

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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

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