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	A new strategy to decrease N-methyl-d-aspartate (NMDA) receptor coactivation: Inhibition of d-serine synthesis by converting serine racemase into an eliminase [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 98, No. 9. (24 April 2001), pp. 5294-5299. by Rogério Panizzutti, Joari De Miranda, Cátia S. Ribeiro, Simone Engelender, Herman Wolosker posted to nmda serinracemase by LamBras on 2008-11-22 11:25:39 as
	Mass spectrometrical analysis of human serine racemase in foetal brain [My Copy] Journal of Neural Transmission, Vol. 112, No. 6. (1 June 2005), pp. 805-811. by F. Hepner, A. Pollak, N. Ulfig, M. Yae-Kyung, G. Lubec posted to nmda racemase by LamBras on 2008-10-01 16:20:09 as
	Induction of serine racemase expression and D-serine release from microglia by amyloid beta-peptide [My Copy] Journal of Neuroinflammation, Vol. 1, No. 1. (2004) by Sheng Z. Wu, Angela Bodles, Mandy Porter, Sue W. Griffin, Anthony Basile, Steven Barger posted to nmda serinracemase by LamBras on 2008-10-01 16:19:10 as
	Mass spectrometrical analysis of human serine racemase in foetal brain [My Copy] Journal of Neural Transmission, Vol. 112, No. 6. (1 June 2005), pp. 805-811. by F. Hepner, A. Pollak, N. Ulfig, M. Yae-Kyung, G. Lubec posted to nmda racemase by LamBras on 2008-10-01 16:05:48 as
	Cofactors of serine racemase that physiologically stimulate the synthesis of the N-methyl-d-aspartate (NMDA) receptor coagonist d-serine [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 99, No. 22. (29 October 2002), pp. 14542-14547. by Joari de Miranda, Rogerio Panizzutti, Veronika N. Foltyn, Herman Wolosker posted to nmda serinracemase by LamBras on 2008-10-01 16:05:02 as
	Serine racemase: Activation by glutamate neurotransmission via glutamate receptor interacting protein and mediation of neuronal migration [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 6. (February 2005), pp. 2105-2110. by Paul M. Kim, Hiroyuki Aizawa, Peter S. Kim, et al.Alex S. Huang, Sasrutha R. Wickramasinghe, Amir H. Kashani, Roxanne K. Barrow, Richard L. Huganir, Anirvan Ghosh, Solomon H. Snyder posted to nmda serinracemase by LamBras on 2008-10-01 16:02:01 as
	Calculation of absolute protein-ligand binding free energy from computer simulations. [My Copy] Proc Natl Acad Sci U S A, Vol. 102, No. 19. (10 May 2005), pp. 6825-6830. by H. J. Woo, B. Roux posted to forcefield free_energy md by LamBras on 2008-09-25 08:44:20 as along with 4 people flbarroso ibuch ttjoseph ashaytan
	Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 2. (1 January 2006), pp. 534-553. by Woody Sherman, Tyler Day, Matthew P. Jacobson, Richard A. Friesner, Ramy Farid posted to docking flexibility scoring sidechain virtual_screening by LamBras on 2008-09-22 18:17:08 as along with 7 people and 1 group klexa sschurer cen4ik BragilMassoud yongzhao daevans kazemi TSRI_MGL
	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
	Lead- and drug-like compounds: the rule-of-five revolution [My Copy] Drug Discovery Today: Technologies, Vol. 1, No. 4. (December 2004), pp. 337-341. by Christopher A. Lipinski posted to adme druglike library_design virtual_screening by LamBras on 2008-08-19 10:27:43 as along with 5 people and 1 group sameersoi lindsayBattle caporaso massivemayhem noby biomedical-nlp
	Classification of Water Molecules in Protein Binding Sites [My Copy] J. Am. Chem. Soc., Vol. 129, No. 9. (7 March 2007), pp. 2577-2587. by C. Barillari, J. Taylor, R. Viner, J. W. Essex posted to free_energy proteins by LamBras on 2008-08-15 12:34:55 as along with 3 people daevans dmobley jteyra
	On the Applicability of GPCR Homology Models to Computer-Aided Drug Discovery: A Comparison between In Silico and Crystal Structures of the β2-Adrenergic Receptor [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 10. (1 May 2008), pp. 2907-2914. by Stefano Costanzi posted to gpcr homology_modeling by LamBras on 2008-08-14 10:49:43 as
	Molecular Dynamics Simulations of Proteins: Can the Explicit Water Model Be Varied? [My Copy] J. Chem. Theory Comput., Vol. 3, No. 4. (10 July 2007), pp. 1550-1560. by D. R. Nutt, J. C. Smith posted to md by LamBras on 2008-08-11 21:06:20 as along with 3 people barmak7282 onufriev softsimu
	Advances in biomolecular simulations: methodology and recent applications. [My Copy] Quarterly reviews of biophysics, Vol. 36, No. 3. (August 2003), pp. 257-306. by J. Norberg, L. Nilsson posted to md review by LamBras on 2008-08-11 20:53:21 as along with 3 people flbarroso baaden ltrabuco
	Biomolecular modeling: Goals, problems, perspectives. [My Copy] Angewandte Chemie (International ed. in English), Vol. 45, No. 25. (19 June 2006), pp. 4064-4092. by Wilfred F. van Gunsteren, Dirk Bakowies, Riccardo Baron, et al.Indira Chandrasekhar, Markus Christen, Xavier Daura, Peter Gee, Daan P. Geerke, Alice Glättli, Philippe H. Hünenberger, Mika A. Kastenholz, Chris Oostenbrink, Merijn Schenk, Daniel Trzesniak, Nico F. van der Vegt, Haibo B. Yu posted to md review by LamBras on 2008-08-11 20:51:57 as along with 2 people mijogiffin patricia
	Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins [My Copy] Chemical Reviews, Vol. 106, No. 5. (1 May 2006), pp. 1589-1615. by Stewart A. Adcock, J. Andrew Mccammon posted to md review by LamBras on 2008-08-11 20:50:31 as along with 5 people flbarroso yxue tovrstra aqeel higueruelo
	Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method [My Copy] Biophys. J., Vol. 94, No. 1. (1 January 2008), pp. 95-103. by Shin-Ichi Fujiwara, Takashi Amisaki posted to mmpbsa by LamBras on 2008-08-07 09:06:03 as
	Mechanisms of activation, inhibition and specificity: crystal structures of the NMDA receptor NR1 ligand-binding core. [My Copy] EMBO J, Vol. 22, No. 12. (16 June 2003), pp. 2873-2885. by H. Furukawa, E. Gouaux posted to docking ion_channels nmda nr1 sar by LamBras on 2008-07-20 16:10:50 as
	d -Serine is an endogenous ligand for the glycine site of the N -methyl- d -aspartate receptor [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 97, No. 9. (2000), pp. 4926-4931. by Jean P. Mothet, Angèle T. Parent, Herman Wolosker, et al.Roscoe O. Brady, David J. Linden, Christopher D. Ferris, Michael A. Rogawski, Solomon H. Snyder posted to nmda nr1 by LamBras on 2008-07-20 16:08:51 as
	Model structures of the N-methyl-D-aspartate receptor subunit NR1 explain the molecular recognition of agonist and antagonist ligands. [My Copy] Journal of structural biology, Vol. 145, No. 3. (March 2004), pp. 205-215. by L. Moretti, O. T. Pentikäinen, L. Settimo, M. S. Johnson posted to nmda by LamBras on 2008-07-20 15:33:32 as
	Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors [My Copy] Neuron, Vol. 47, No. 1. (7 July 2005), pp. 71-84. by Atsushi Inanobe, Hiroyasu Furukawa, Eric Gouaux posted to nmda nr1 by LamBras on 2008-07-20 15:29:46 as
	Subunit arrangement and function in NMDA receptors [My Copy] Nature, Vol. 438, No. 7065., pp. 185-192. by Hiroyasu Furukawa, Satinder K. Singh, Romina Mancusso, Eric Gouaux posted to ion_channels nmda by LamBras on 2008-07-20 15:27:24 as
	Molecular dynamics simulations of biomolecules. [My Copy] Nat Struct Biol, Vol. 9, No. 9. (September 2002), pp. 646-652. by M. Karplus, J. A. McCammon posted to md review by LamBras on 2008-07-17 18:05:33 as along with 8 people saravan yxue onufriev adilson_mohr yalexeev baaden aqeel RamuAnandakrishnan
	Improving database enrichment through ensemble docking [My Copy] Journal of Computer-Aided Molecular Design by Shashidhar Rao, Paul Sanschagrin, Jeremy Greenwood, Matthew Repasky, Woody Sherman, Ramy Farid posted to docking ensemble virtual_screening by LamBras on 2008-07-04 11:01:29 as
	Classification of kinase inhibitors using a Bayesian model. [My Copy] J Med Chem, Vol. 47, No. 18. (26 August 2004), pp. 4463-4470. by X. Xia, E. G. Maliski, P. Gallant, D. Rogers posted to bayesian by LamBras on 2008-04-23 12:12:18 as along with 3 people jerome kuhn thanatos
	Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. [My Copy] J Med Chem, Vol. 47, No. 7. (25 March 2004), pp. 1750-1759. by T. A. Halgren, R. B. Murphy, R. A. Friesner, et al.H. S. Beard, L. L. Frye, W. T. Pollard, J. L. Banks posted to docking scoring by LamBras on 2008-04-23 10:46:07 as along with 4 people snichols15 flbarroso BragilMassoud schlauchi
	Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. [My Copy] J Med Chem, Vol. 47, No. 7. (25 March 2004), pp. 1739-1749. by R. A. Friesner, J. L. Banks, R. B. Murphy, et al.T. A. Halgren, J. J. Klicic, D. T. Mainz, M. P. Repasky, E. H. Knoll, M. Shelley, J. K. Perry, D. E. Shaw, P. Francis, P. S. Shenkin posted to docking scoring by LamBras on 2008-04-23 10:44:59 as along with 7 people snichols15 flbarroso BragilMassoud dgruiz cantupaz nachtalp dbougioukou
	Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides† [My Copy] The Journal of Physical Chemistry B, Vol. 105, No. 28. (1 July 2001), pp. 6474-6487. by George A. Kaminski, Richard A. Friesner, Julian Tirado-Rives, William L. Jorgensen posted to forcefield md by LamBras on 2008-03-22 16:06:30 as along with 1 person softsimu
	Impact of Novel Screening Technologies on Ion Channel Drug Discovery [My Copy] Combinatorial Chemistry & High Throughput Screening, Vol. 11, No. 3. (March 2008), pp. 185-194. by Lu, Qiang, An, W. F. posted to ion_channels by LamBras on 2008-03-20 19:45:53 as
	Protein flexibility: its role in structure and mechanism revealed by molecular simulations [My Copy] Cell Mol Life Sci, Vol. 63, No. 2. (2006), pp. 207-219. by G. Dodson, C. S. Verma posted to flexibility md by LamBras on 2008-03-15 16:27:08 as
	Combining docking and molecular dynamic simulations in drug design [My Copy] Med Res Rev (2006) by Hernã¡n Alonso, Andrey A. Bliznyuk, Jill E. Gready posted to docking md by LamBras on 2008-03-15 16:27:08 as
	Molecular dynamics simulations of the ligand-binding domain of an N-methyl-D-aspartate receptor. [My Copy] J Biol Chem, Vol. 281, No. 18. (5 May 2006), pp. 12736-12742. by S. L. Kaye, M. S. Sansom, P. C. Biggin posted to md nmda by LamBras on 2008-03-07 10:54:56 as
	Combining docking and molecular dynamic simulations in drug design. [My Copy] Med Res Rev (6 June 2006) by Hernán Alonso, Andrey A A. Bliznyuk, Jill E E. Gready posted to docking md by LamBras on 2007-11-23 12:39:01 as along with 7 people and 2 groups flbarroso hryk oteri A_Coletta_Thesis aqeel yongzhao kazemi Structural Biology Group TorVergata TSRI_MGL
	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
	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
	Docking of tryptophan analogs to trytophanyl-tRNA synthetase: implications for non-canonical amino acid incorporations. [My Copy] Biological chemistry, Vol. 389, No. 9. (September 2008), pp. 1173-1182. by M. K. Azim, N. Budisa posted to docking homology_modeling trna virtual_screening by LamBras on 2008-09-22 10:51:04 as
	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
	Loopholes and missing links in protein modeling. [My Copy] Protein Sci, Vol. 16, No. 9. (September 2007), pp. 1999-2012. by K. A. Rossi, C. A. Weigelt, A. Nayeem, S. R. Krystek posted to homology_modeling by LamBras on 2008-08-14 14:36:48 as along with 2 people mijam cdeane
	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
	Protein flexibility and drug design: how to hit a moving target [My Copy] Current Opinion in Chemical Biology, Vol. 6, No. 4. (1 August 2002), pp. 447-452. by Heather A. Carlson posted to flexibility by LamBras on 2008-07-28 16:13:29 as along with 1 person and 1 group yongzhao TSRI_MGL
	Probing the Mg2+ blockade site of an N-methyl-D-aspartate (NMDA) receptor with unnatural amino acid mutagenesis. [My Copy] ACS chemical biology, Vol. 1, No. 4. (23 May 2006), pp. 227-234. by K. A. McMenimen, D. A. Dougherty, H. A. Lester, E. J. Petersson posted to nmda by LamBras on 2008-07-24 15:33:23 as
	On the Hypes and Falls in Neuroprotection: Targeting the NMDA Receptor [My Copy] Neuroscientist, Vol. 13, No. 6. (1 December 2007), pp. 594-615. by Carmen Villmann, Cord-Michael Becker posted to nmda review by LamBras on 2008-07-20 16:04:49 as along with 1 person carlafed
	Structural Model of the N-Methyl-D-aspartate Receptor Glycine Site Probed by Site-directed Chemical Coupling [My Copy] J. Biol. Chem., Vol. 278, No. 26. (20 June 2003), pp. 24011-24017. by Bernard Foucaud, Bodo Laube, Rudolf Schemm, Annett Kreimeyer, Maurice Goeldner, Heinrich Betz posted to nmda nr1 by LamBras on 2008-07-20 16:03:56 as
	A dynamic model for the allosteric mechanism of GroEL. [My Copy] J Mol Biol, Vol. 302, No. 2. (15 September 2000), pp. 303-313. by J. Ma, P. B. Sigler, Z. Xu, M. Karplus posted to md targeted_md by LamBras on 2008-07-20 15:11:27 as along with 3 people dfgreen lna dgront
	Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding [My Copy] J. Am. Chem. Soc., Vol. 130, No. 9. (5 March 2008), pp. 2817-2831. by R. Abel, T. Young, R. Farid, B. J. Berne, R. A. Friesner posted to free_energy md by LamBras on 2008-07-15 15:47:18 as
	Force Field Validation Using Protein Side Chain Prediction [My Copy] J. Phys. Chem. B, Vol. 106, No. 44. (7 November 2002), pp. 11673-11680. by M. P. Jacobson, G. A. Kaminski, R. A. Friesner, C. S. Rapp posted to forcefield md sidechain by LamBras on 2008-03-22 16:09:35 as
	Recommendations for evaluation of computational methods [My Copy] Journal of Computer-Aided Molecular Design by Ajay Jain, Anthony Nicholls posted to docking by LamBras on 2008-03-20 19:23:53 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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