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LamBras's library [202 articles]

最近录入 LamBras's 文献库.
  • Can we use docking and scoring for hit-to-lead optimization?
    Journal of Computer-Aided Molecular Design, Vol. 22, No. 3. (16 March 2008), pp. 161-168.
    by Istvan Enyedy, William Egan
    posted to virtual_screening drugdesign docking by LamBras on 2008-08-26 10:31:24 as ***
  • Structure-based Drug Discovery Using GPCR Homology Modeling: Successful Virtual Screening for Antagonists of the Alpha1A Adrenergic Receptor
    J. Med. Chem., Vol. 48, No. 4. (24 February 2005), pp. 1088-1097.
    by A Evers, T Klabunde
    posted to virtual_screening homology_modeling gpcr docking by LamBras on 2008-08-21 16:34:16 as **
  • Virtual Screening of Biogenic Amine-Binding G-Protein Coupled Receptors: Comparative Evaluation of Protein- and Ligand-Based Virtual Screening Protocols
    J. Med. Chem., Vol. 48, No. 17. (25 August 2005), pp. 5448-5465.
    by A Evers, G Hessler, H Matter, T Klabunde
    posted to virtual_screening gpcr docking by LamBras on 2008-08-21 16:31:15 as **
  • Drug-like properties and the causes of poor solubility and poor permeability
    Journal of Pharmacological and Toxicological Methods, Vol. 44, No. 1. ( 2000), pp. 235-249.
    by Christopher A Lipinski
    posted to virtual_screening library_design druglike drugdesign cheminformatics adme 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
    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 virtual_screening sar library_design druglike drugdesign adme 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
    Drug Discovery Today: Technologies, Vol. 1, No. 4. (December 2004), pp. 337-341.
    by Christopher A Lipinski
    posted to virtual_screening library_design druglike adme by LamBras on 2008-08-19 10:27:43 as ***** along with 4 people and 1 group lindsayBattle caporaso massivemayhem noby biomedical-nlp
  • notes Strategic Pooling of Compounds for High-Throughput Screening
    J. Chem. Inf. Comput. Sci., Vol. 39, No. 5. (27 September 1999), pp. 897-902.
    by M Hann, B Hudson, X Lewell, R Lifely, L Miller, N Ramsden
    posted to virtual_screening by LamBras on 2008-08-19 09:02:24 as read
  • Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes.
    J Chem Inf Model (1 February 2007)
    by Yipin Lu, Renxiao Wang, Chao-Yie Y Yang, Shaomeng Wang
    posted to xray proteins free_energy by LamBras on 2008-08-15 12:40:07 as *** along with 1 person BragilMassoud
  • Classification of Water Molecules in Protein Binding Sites
    J. Am. Chem. Soc., Vol. 129, No. 9. (7 March 2007), pp. 2577-2587.
    by C Barillari, J Taylor, R Viner, JW Essex
    posted to proteins free_energy by LamBras on 2008-08-15 12:34:55 as ***** along with 3 people jteyra daevans dmobley
  • NMDA receptors as targets for drug action in neuropathic pain
    European Journal of Pharmacology, Vol. 429, No. 1-3. (19 October 2001), pp. 71-78.
    by Chris G Parsons
    posted to nmda by LamBras on 2008-08-15 12:28:37 as ***
  • Loopholes and missing links in protein modeling.
    Protein Sci, Vol. 16, No. 9. (September 2007), pp. 1999-2012.
    by KA Rossi, CA Weigelt, A Nayeem, SR Krystek
    posted to homology_modeling by LamBras on 2008-08-14 14:36:48 as **** along with 1 person cdeane
  • BREED: Generating Novel Inhibitors through Hybridization of Known Ligands. Application to CDK2, P38, and HIV Protease
    J. Med. Chem., Vol. 47, No. 11. (20 May 2004), pp. 2768-2775.
    by AC Pierce, G Rao, GW Bemis
    posted to drugdesign de_novo by LamBras on 2008-08-14 10:55:50 as **
  • 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
    J. Med. Chem., Vol. 51, No. 10. (22 May 2008), pp. 2907-2914.
    by Stefano Costanzi
    posted to homology_modeling gpcr by LamBras on 2008-08-14 10:49:43 as *****
  • Molecular Dynamics Simulations of Proteins: Can the Explicit Water Model Be Varied?
    J. Chem. Theory Comput., Vol. 3, No. 4. (10 July 2007), pp. 1550-1560.
    by DR Nutt, JC Smith
    posted to md by LamBras on 2008-08-11 21:06:20 as ***** along with 2 people onufriev softsimu
  • Advances in biomolecular simulations: methodology and recent applications.
    Q Rev Biophys, Vol. 36, No. 3. (August 2003), pp. 257-306.
    by J Norberg, L Nilsson
    posted to review md by LamBras on 2008-08-11 20:53:21 as ***** along with 2 people baaden ltrabuco
  • Biomolecular modeling: Goals, problems, perspectives.
    Angew Chem Int Ed Engl, Vol. 45, No. 25. (19 June 2006), pp. 4064-4092.
    by WF van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, X Daura, P Gee, DP Geerke, A Glättli, PH Hünenberger, MA Kastenholz, C Oostenbrink, M Schenk, D Trzesniak, NF van der Vegt, HB Yu
    posted to review md by LamBras on 2008-08-11 20:51:57 as ***** along with 1 person patricia
  • Molecular dynamics: survey of methods for simulating the activity of proteins.
    Chem Rev, Vol. 106, No. 5. (May 2006), pp. 1589-1615.
    by SA Adcock, JA McCammon
    posted to review md by LamBras on 2008-08-11 20:50:31 as ***** along with 2 people higueruelo aqeel
  • Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method
    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 *****
  • Validation and use of the MM-PBSA approach for drug discovery.
    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 mmpbsa drugdesign by LamBras on 2008-08-06 13:57:54 as **** along with 4 people and 1 group BragilMassoud apostola mleis gcaltabiano LabCompMed
  • Pseudoreceptor models in drug design: bridging ligand- and receptor-based virtual screening
    Nature Reviews Drug Discovery, Vol. 7, No. 8. (18 July 2008), pp. 667-677.
    by Yusuf Tanrikulu, Gisbert Schneider
    posted to virtual_screening by LamBras on 2008-08-05 09:47:11 as **
  • Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling
    Bioorganic & Medicinal Chemistry, Vol. 16, No. 6. (15 March 2008), pp. 2968-2973.
    by Scott D Bembenek, John M Keith, Michael A Letavic, Richard Apodaca, Ann J Barbier, Lisa Dvorak, Leah Aluisio, Kirsten L Miller, Timothy W Lovenberg, Nicholas I Carruthers
    posted to virtual_screening drugdesign alzheimer by LamBras on 2008-08-05 08:07:34 as ****
  • Protein flexibility and drug design: how to hit a moving target
    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.
    ACS chemical biology, Vol. 1, No. 4. (23 May 2006), pp. 227-234.
    by KA McMenimen, DA Dougherty, HA Lester, EJ Petersson
    posted to nmda by LamBras on 2008-07-24 15:33:23 as ****
  • Normal modes and essential dynamics.
    Methods in molecular biology (Clifton, N.J.), Vol. 443 (2008), pp. 89-106.
    by S Hayward, BL de Groot
    posted to normal_modes md by LamBras on 2008-07-24 12:31:31 as *** along with 1 person higueruelo
  • The Glycine Site on the NMDA Receptor: Structure-Activity Relationships and Therapeutic Potential
    Journal of Medicinal Chemistry, Vol. 37, No. 24. (1994), pp. 4053-4067.
    by Paul D Leeson, Leslie L Iversen
    posted to nr1 nmda by LamBras on 2008-07-23 17:07:26 as ***
  • Glutamate receptor gating.
    Crit Rev Neurobiol, Vol. 16, No. 3. (2004), pp. 187-224.
    by K Erreger, PE Chen, DJ Wyllie, SF Traynelis
    posted to review ion_channels by LamBras on 2008-07-21 10:59:10 as ** along with 1 person Iden-J_GluR
  • Molecular dynamics simulations of ethanol binding to the transmembrane domain of the glycine receptor: Implications for the channel potentiation mechanism
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA.
    by Mary H Cheng, Rob D Coalson, Michael Cascio
    posted to md by LamBras on 2008-07-20 16:15:14 as ** along with 1 person RamuAnandakrishnan
  • Mechanisms of activation, inhibition and specificity: crystal structures of the NMDA receptor NR1 ligand-binding core.
    EMBO J, Vol. 22, No. 12. (16 June 2003), pp. 2873-2885.
    by H Furukawa, E Gouaux
    posted to sar nr1 nmda ion_channels docking 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
    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, Roscoe O Brady, David J Linden, Christopher D Ferris, Michael A Rogawski, Solomon H Snyder
    posted to nr1 nmda by LamBras on 2008-07-20 16:08:51 as *****
  • On the Hypes and Falls in Neuroprotection: Targeting the NMDA Receptor
    Neuroscientist, Vol. 13, No. 6. (1 December 2007), pp. 594-615.
    by Carmen Villmann, Cord-Michael Becker
    posted to review nmda by LamBras on 2008-07-20 16:04:49 as ****
  • N-Methyl-D-aspartate (NMDA) Receptor Subunit NR1 Forms the Substrate for Oligomeric Assembly of the NMDA Receptor
    J. Biol. Chem., Vol. 282, No. 35. (31 August 2007), pp. 25299-25307.
    by Palmi T Atlason, Molly L Garside, Elisabeth Meddows, Paul Whiting, Jeffrey RA Mcilhinney
    posted to r1 nmda by LamBras on 2008-07-20 16:04:13 as **
  • Structural Model of the N-Methyl-D-aspartate Receptor Glycine Site Probed by Site-directed Chemical Coupling
    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 nr1 nmda by LamBras on 2008-07-20 16:03:56 as ****
  • Expression and Initial Characterization of a Soluble Glycine Binding Domain of the N-Methyl-D-aspartate Receptor NR1 Subunit
    J. Biol. Chem., Vol. 273, No. 32. (7 August 1998), pp. 19933-19937.
    by Aleksandra Ivanovic, Helmut Reilander, Bodo Laube, Jochen Kuhse
    posted to nr1 nmda by LamBras on 2008-07-20 16:01:22 as **
  • Microsecond-to-Millisecond Conformational Dynamics Demarcate the GluR2 Glutamate Receptor Bound to Agonists Glutamate, Quisqualate, and AMPA
    Biochemistry, Vol. 44, No. 9. (8 March 2005), pp. 3410-3417.
    by ER Valentine, AG Palmer
    posted to md ion_channels dynamics by LamBras on 2008-07-20 15:33:56 as ** along with 1 person rph
  • Model structures of the N-methyl-D-aspartate receptor subunit NR1 explain the molecular recognition of agonist and antagonist ligands.
    Journal of structural biology, Vol. 145, No. 3. (March 2004), pp. 205-215.
    by L Moretti, OT Pentikäinen, L Settimo, MS Johnson
    posted to nmda by LamBras on 2008-07-20 15:33:32 as *****
  • Structural Mobility of the Extracellular Ligand-Binding Core of an Ionotropic Glutamate Receptor. Analysis of NMR Relaxation Dynamics
    Biochemistry, Vol. 41, No. 33. (20 August 2002), pp. 10472-10481.
    by RL Mcfeeters, RE Oswald
    posted to nmr ion_channels dynamics by LamBras on 2008-07-20 15:33:08 as **
  • Mechanisms for ligand binding to GluR0 ion channels: crystal structures of the glutamate and serine complexes and a closed apo state
    Journal of Molecular Biology, Vol. 311, No. 4. (24 August 2001), pp. 815-836.
    by Mark L Mayer, Rich Olson, Eric Gouaux
    posted to ion_channels by LamBras on 2008-07-20 15:32:29 as **
  • Structure and Function of Glutamate Receptor Ion Channels
    Annual Review of Physiology, Vol. 66, No. 1. (2004), pp. 161-181.
    by Mark L Mayer, Neali Armstrong
    posted to nmda ion_channels by LamBras on 2008-07-20 15:31:13 as ** along with 1 person mattions
  • Crystal Structures of the GluR5 and GluR6 Ligand Binding Cores: Molecular Mechanisms Underlying Kainate Receptor Selectivity
    Neuron, Vol. 45, No. 4. (17 February 2005), pp. 539-552.
    by Mark L Mayer
    posted to nmda ion_channels by LamBras on 2008-07-20 15:31:00 as **
  • Glutamate receptor ion channels
    Current Opinion in Neurobiology, Vol. 15, No. 3. (June 2005), pp. 282-288.
    by Mark L Mayer
    posted to nmda ion_channels by LamBras on 2008-07-20 15:30:33 as **
  • Mechanism of Positive Allosteric Modulators Acting on AMPA Receptors
    J. Neurosci., Vol. 25, No. 39. (28 September 2005), pp. 9027-9036.
    by Rongsheng Jin, Suzanne Clark, Autumn M Weeks, Joshua T Dudman, Eric Gouaux, Kathryn M Partin
    posted to nmda by LamBras on 2008-07-20 15:30:13 as **
  • Structural basis for partial agonist action at ionotropic glutamate receptors
    Nat Neurosci, Vol. 6, No. 8. (2003), pp. 803-810.
    by Rongsheng Jin, Tue G Banke, Mark L Mayer, Stephen F Traynelis, Eric Gouaux
    posted to nmda by LamBras on 2008-07-20 15:30:01 as **
  • Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors
    Neuron, Vol. 47, No. 1. (7 July 2005), pp. 71-84.
    by Atsushi Inanobe, Hiroyasu Furukawa, Eric Gouaux
    posted to nr1 nmda by LamBras on 2008-07-20 15:29:46 as *****
  • Subunit arrangement and function in NMDA receptors
    Nature, Vol. 438, No. 7065., pp. 185-192.
    by Hiroyasu Furukawa, Satinder K Singh, Romina Mancusso, Eric Gouaux
    posted to nmda ion_channels by LamBras on 2008-07-20 15:27:24 as *****
  • The glutamate receptor ion channels.
    Pharmacol Rev, Vol. 51, No. 1. (March 1999), pp. 7-61.
    by R Dingledine, K Borges, D Bowie, SF Traynelis
    posted to review ion_channels by LamBras on 2008-07-20 15:25:43 as **
  • Crystal Structures of the Kainate Receptor GluR5 Ligand Binding Core Dimer with Novel GluR5-Selective Antagonists
    J. Neurosci., Vol. 26, No. 11. (15 March 2006), pp. 2852-2861.
    by Mark L Mayer, Alokesh Ghosal, Nigel P Dolman, David E Jane
    posted to nmda ion_channels by LamBras on 2008-07-20 15:22:53 as **
  • A dynamic model for the allosteric mechanism of GroEL.
    J Mol Biol, Vol. 302, No. 2. (15 September 2000), pp. 303-313.
    by J Ma, PB Sigler, Z Xu, M Karplus
    posted to targeted_md md by LamBras on 2008-07-20 15:11:27 as **** along with 2 people lna dgront
  • Molecular Dynamics Simulations of the Ligand-Binding Domain of the Ionotropic Glutamate Receptor GluR2
    Biophys. J., Vol. 82, No. 2. (1 February 2002), pp. 676-683.
    by Yalini Arinaminpathy, Mark S Sansom, Philip C Biggin
    posted to nmda md by LamBras on 2008-07-20 15:06:57 as **
  • Molecular dynamics simulations of biomolecules.
    Nat Struct Biol, Vol. 9, No. 9. (September 2002), pp. 646-652.
    by M Karplus, JA McCammon
    posted to review md by LamBras on 2008-07-17 18:05:33 as ***** along with 4 people RamuAnandakrishnan baaden aqeel simone
  • Targeted molecular dynamics simulation studies of binding and conformational changes in <I>E. coli</I> MurD
    Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 1. (2007), pp. 243-254.
    by Andrej Perdih, Miha Kotnik, Milan Hodoscek, Tom Solmajer
    posted to targeted_md md by LamBras on 2008-07-17 18:00:23 as **
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