Tag ligand-binding [33 articles] Export Sort

Recent papers classified by the tag ligand-binding.

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	Rapid Comparison of Protein Binding Site Surfaces with Property Encoded Shape Distributions [My Copy] Journal of Chemical Information and Modeling In Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Sourav Das, Arshad Kokardekar, Curt M. Breneman posted to protein-structure ligand-binding in-silico-screening by stharward on 2009-12-09 16:55:28 as along with 2 people klexa nickolay
	Surface motifs by a computer vision technique: Searches, detection, and implications for protein-ligand recognition [My Copy] Proteins: Structure, Function, and Genetics, Vol. 16, No. 3. (1993), pp. 278-292. by Daniel Fischer, Raquel Norel, Haim Wolfson, Ruth Nussinov posted to protein-structure motif-identification ligand-binding geometric-hashing computer-vision by stharward on 2009-12-09 16:45:30 as along with 1 person nickolay
	Molecular surface recognition by a computer vision-based technique [My Copy] Protein Eng In Protein Eng., Vol. 7, No. 1. (1 January 1994), pp. 39-46. by Raquel Norel, Daniel Fischer, Haim J. Wolfson, Ruth Nussinov posted to machine-learning ligand-binding docking computer-vision computational by stharward on 2009-12-09 16:41:15 as
	A guest molecule–host cavity fitting algorithm to mine PDB for small molecule targets [My Copy] Biochimica et Biophysica Acta (BBA) - Proteins & Proteomics, Vol. 1764, No. 8. (August 2006), pp. 1320-1324. by William Byrem, Stephen Armstead, Shunji Kobayashi, Roderic Eckenhoff, David Eckmann posted to protein-structure ligand-binding algorithm by stharward on 2009-12-08 20:02:17 as along with 1 person oteri
	Fast prediction and visualization of protein binding pockets with PASS [My Copy] Journal of Computer-Aided Molecular Design In Journal of Computer-Aided Molecular Design, Vol. 14, No. 4. (1 May 2000), pp. 383-401. by G. Patrick Brady, Pieter F. W. Stouten posted to protein-structure ligand-binding docking computational algorithm by stharward on 2009-12-08 19:47:04 as along with 1 person massivemayhem
	Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking. [My Copy] Current medicinal chemistry, Vol. 11, No. 1. (January 2004), pp. 91-107. by Dina Schneidman-Duhovny, Ruth Nussinov, Haim J. Wolfson posted to review protein-structure ligand-binding in-silico-screening docking computational by stharward on 2009-12-08 19:40:47 as
	Predicting Molecular Interactions in silico: I. A Guide to Pharmacophore Identification and its Applications to Drug Design [My Copy] Current Medicinal Chemistry (January 2004), pp. 71-90. by Oranit Dror, Alexandra Shulman-Peleg, Ruth Nussinov, Haim J. Wolfson posted to review qsar protein-structure ligand-binding by stharward on 2009-12-08 19:39:05 as
	Molecular Docking Screens Using Comparative Models of Proteins [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 11. (23 November 2009), pp. 2512-2527. by Hao Fan, John J. Irwin, Benjamin M. Webb, Gerhard Klebe, Brian K. Shoichet, Andrej Sali posted to variation templates screens ranking range pocket molecular models ligands ligand-binding known enrichment docking crystallographic comparative by zimbo1 on 2009-11-27 07:45:57 as
	Dewetting-Controlled Binding of Ligands to Hydrophobic Pockets [My Copy] Physical Review Letters, Vol. 103, No. 18. (2009), 187801. by P. Setny, Z. Wang, L. T. Cheng, B. Li, J. A. McCammon, J. Dzubiella posted to ligand-binding internal-water by agrossfield on 2009-11-20 17:47:56 as
	The dynamics of ligand-receptor interactions. Real-time analyses of association, dissociation, and internalization of an N-formyl peptide and its receptors on the human neutrophil. [My Copy] Journal of Biological Chemistry, Vol. 259, No. 9. (10 May 1984), pp. 5661-5669. by L. A. Sklar, D. A. Finney, Z. G. Oades, A. J. Jesaitis, R. G. Painter, C. G. Cochrane posted to protein-kinetics ligand-binding fluorescence by stharward on 2009-10-01 15:38:03 as
	Theory of Free Energy and Entropy in Noncovalent Binding [My Copy] Chemical Reviews, Vol. 109, No. 9. (9 September 2009), pp. 4092-4107. by Huan-Xiang Zhou, Michael K. Gilson posted to ligand-binding by agrossfield on 2009-09-10 14:49:19 as along with 7 people and 2 groups jmccammon cchang anuragsethi sobolevnrm dr_proton qshao paulschlesinger McCammon Chang group
	Structure-based discovery of β2-adrenergic receptor ligands [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 16. (21 April 2009), pp. 6843-6848. by Peter Kolb, Daniel M. Rosenbaum, John J. Irwin, Juan J. Fung, Brian K. Kobilka, Brian K. Shoichet posted to b2ar gpcrs ligand-binding by arnaucordomi on 2009-06-30 15:31:40 as along with 2 people npt11tpn reyez
	The Difference between the CB1 and CB2Cannabinoid Receptors at Position 5.46 Is Crucial for the Selectivity of WIN55212-2 for CB2 [My Copy] Molecular Pharmacology, Vol. 56, No. 4. (1 October 1999), pp. 834-840. by Z. H. Song, Carole-Anne Slowey, Dow P. Hurst, Patricia H. Reggio posted to cb1 gpcrs ligand-binding mutants by arnaucordomi on 2009-06-30 10:48:50 as along with 1 person ganja
	A critical role for a tyrosine residue in the cannabinoid receptors for ligand recognition. [My Copy] Biochemical pharmacology, Vol. 63, No. 12. (15 June 2002), pp. 2121-2136. by S. D. McAllister, Q. Tao, J. Barnett-Norris, et al.K. Buehner, D. P. Hurst, F. Guarnieri, P. H. Reggio, K. W. Nowell Harmon, G. A. Cabral, M. E. Abood posted to cb1 gpcrs ligand-binding mutants by arnaucordomi on 2009-06-30 10:48:11 as
	An aromatic microdomain at the cannabinoid CB(1) receptor constitutes an agonist/inverse agonist binding region. [My Copy] Journal of medicinal chemistry, Vol. 46, No. 24. (20 November 2003), pp. 5139-5152. by S. D. McAllister, G. Rizvi, S. Anavi-Goffer, et al.D. P. Hurst, J. Barnett-Norris, D. L. Lynch, P. H. Reggio, M. E. Abood posted to cb1 gpcrs ligand-binding mutants by arnaucordomi on 2009-06-30 10:47:09 as along with 1 person ganja
	Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Dian Jiao, Jiajing Zhang, Robert E. Duke, Guohui Li, Michael J. Schnieders, Pengyu Ren posted to forcefield free-energy implicit-solvent ligand-binding by agrossfield on 2009-06-16 13:07:49 as along with 2 people and 1 group flbarroso sobolevnrm baker-group
	Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulations [My Copy] The Journal of Chemical Physics, Vol. 130, No. 16. (2009), 164906. by Marty F. Ytreberg posted to free-energy jarzynski ligand-binding by agrossfield on 2009-04-30 21:48:51 as
	Binding MOAD, a high-quality protein-ligand database. [My Copy] Nucleic Acids Res, Vol. 36, No. Database issue. (January 2008) by M. L. Benson, R. D. Smith, N. A. Khazanov, et al.B. Dimcheff, J. Beaver, P. Dresslar, J. Nerothin, H. A. Carlson posted to bioinformatics cheminformatics drug drug-binding ligand-binding protein protein-function protein-structure by pauldobson on 2009-03-15 23:14:42 as along with 6 people medic0747 reyez nickolay massivemayhem higueruelo guhjy
	Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques [My Copy] Bioinformatics, Vol. 25, No. 5. (1 March 2009), pp. 621-627. by Ryan Brenke, Dima Kozakov, Gwo-Yu Chuang, et al.Dmitri Beglov, David Hall, Melissa R. Landon, Carla Mattos, Sandor Vajda posted to drug drug-binding fragment ligand-binding protein protein-structure by pauldobson on 2009-02-26 11:00:58 as along with 3 people ubcg08l kabookie reyez
	The protein-small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding [My Copy] Bioinformatics, Vol. 25, No. 5. (1 March 2009), pp. 615-620. by Izhar Wallach, Ryan Lilien posted to drug drug-binding fragment ligand-binding protein protein-structure by pauldobson on 2009-02-26 10:59:59 as along with 5 people ucbcjbm zwang reyez carlosjavierna apaydin
	Computations of Standard Binding Free Energies with Molecular Dynamics Simulations [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 8. (26 February 2009), pp. 2234-2246. by Yuqing Deng, Benoît Roux posted to free-energy ligand-binding by agrossfield on 2009-02-24 15:32:22 as along with 10 people and 2 groups loison anuragsethi flbarroso mikaellund sobolevnrm barry jmccammon willard carlosjavierna ibuch baker-group McCammon
	Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin. [My Copy] Proceedings of the National Academy of Sciences of the United States of America (1 July 2008) by Jory Z Z. Ruscio, Deept Kumar, Maulik Shukla, Michael G G. Prisant, T M M. Murali, Alexey V V. Onufriev posted to ligand-binding molecular-dynamics myoglobin by kjell on 2008-08-14 14:24:28 as along with 2 people Christophe testmb
	Dynamics of Ligand Rebinding to Unfolded MbCO by Guanidine HCl [My Copy] Biophys. J., Vol. 94, No. 11. (1 June 2008), pp. L84-86. by Jaeheung Park, Jooyoung Kim, Taegon Lee, Manho Lim posted to co-bound folding ligand-binding myoglobin by kjell on 2008-06-07 15:28:29 as
	Structural Dynamics of Myoglobin: FTIR-TDS Study of NO Migration and Binding† [My Copy] Biochemistry, Vol. 47, No. 3. (22 January 2008), pp. 935-948. by K. Nienhaus, P. Palladino, G. U. Nienhaus posted to ligand-binding myoglobin weekly-readings by kjell on 2008-02-04 15:20:09 as
	A simple and fuzzy method to align and compare druggable ligand-binding sites [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Claire Schalon, Jean-Sébastien Surgand, Esther Kellenberger, Didier Rognan posted to ligand-binding by bicko on 2008-01-09 17:22:38 as along with 3 people tjimenez willpitt nickolay
	A novel approach to local similarity of protein binding sites substantially improves computational drug design results. [My Copy] Proteins (10 July 2007) by Vasily Ramensky, Alexandr Sobol, Natalia Zaitseva, Anatoly Rubinov, Victor Zosimov posted to drug-discovery ligand-binding by bicko on 2008-01-09 15:52:13 as along with 2 people operon ramensky
	Design of Ligand Binding to an Engineered Protein Cavity Using Virtual Screening and Thermal Up-shift Evaluation [My Copy] Journal of Computer-Aided Molecular Design, Vol. 19, No. 6. (June 2005), pp. 421-443. by Claudia Machicado, Jon Lopez-Llano, Santiago Cuesta-Lopez, Marta Bueno, Javier Sancho posted to ligand-binding protein-design protein-protein reverse-docking by niallhaslam on 2007-11-20 11:00:28 as
	Automated prediction of ligand-binding sites in proteins [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Rodney Harris, Arthur J. Olson, David S. Goodsell posted to ligand-binding prediction by carlescorbi on 2007-10-02 17:24:41 as along with 4 people iaolier oteri tjimenez RamuAnandakrishnan
	Selection in vitro of single-stranded DNA molecules that fold into specific ligand-binding structures. [My Copy] Nature, Vol. 355, No. 6363. (27 February 1992), pp. 850-852. by A. D. Ellington, J. W. Szostak posted to dna dna-folding ligand-binding by Kiarostami on 2007-05-09 21:21:36 as along with 1 person absterga
	Adaptive recognition by nucleic acid aptamers. [My Copy] Science, Vol. 287, No. 5454. (4 February 2000), pp. 820-825. by T. Hermann, D. J. Patel posted to dna ligand-binding review rna by Kiarostami on 2007-05-09 20:41:14 as
	Side-chain flexibility in proteins upon ligand binding. [My Copy] Proteins, Vol. 39, No. 3. (15 May 2000), pp. 261-268. by R. Najmanovich, J. Kuttner, V. Sobolev, M. Edelman posted to ligand-binding side-chain by blackbart on 2006-03-29 21:24:26 as along with 5 people and 1 group dgruiz radestock lna yongzhao LamBras TSRI_MGL
	Knowledge-based design of target-focused libraries using protein-ligand interaction constraints. [My Copy] J Med Chem, Vol. 49, No. 2. (26 January 2006), pp. 490-500. by Z. Deng, C. Chuaqui, J. Singh posted to ligand-binding protein-design by shuns on 2006-01-24 02:25:23 as along with 1 person peprovy
	Structure of a liganded type 2 non-specific lipid-transfer protein from wheat and the molecular basis of lipid binding [My Copy] Acta Crystallographica Section D Biological Crystallography by Hoh posted to lab ligand-binding ltp structure by imouthesmp on 2005-12-22 07:06:37 as

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