ubcg08l's hotspots [25 articles] Export Sort

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	SuperStar: A Knowledge-based Approach for Identifying Interaction Sites in Proteins☆☆☆ [My Copy] Journal of Molecular Biology, Vol. 289, No. 4. (18 June 1999), pp. 1093-1108. by Marcel L. Verdonk, Jason C. Cole, Robin Taylor posted to pharmacophores hotspots by ubcg08l on 2009-10-07 17:07:24 as along with 1 person tjimenez
	Organic solvents identify specific ligand binding sites on protein surfaces [My Copy] Nat Biotech, Vol. 15, No. 3. (March 1997), pp. 264-268. by Edvards Liepinsh, Gottfried Otting, Edvards Liepinsh, Gottfried Otting posted to solvent hotspots by ubcg08l on 2009-10-07 15:36:46 as
	Identification of hot-spot residues in protein-protein interactions by computational docking. [My Copy] BMC bioinformatics, Vol. 9, No. 1. (2008) by Solène Grosdidier, Juan Fernández-Recio posted to hotspots by ubcg08l on 2009-10-07 15:23:59 as along with 6 people pablocarb bicko grahamc higueruelo i000 neils
	Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy [My Copy] Bioinformatics, Vol. 25, No. 12. (15 June 2009), pp. 1513-1520. by Nurcan Tuncbag, Attila Gursoy, Ozlem Keskin posted to hotspots by ubcg08l on 2009-10-07 15:22:48 as along with 6 people and 1 group okapi dfdong marti apaydin kshameer phoenixzxl structural_bioinformatics
	Unraveling hot spots in binding interfaces: progress and challenges. [My Copy] Current opinion in structural biology, Vol. 12, No. 1. (February 2002), pp. 14-20. by Warren L. DeLano posted to hotspots by ubcg08l on 2009-10-07 15:22:07 as along with 3 people bicko Dualsystems higueruelo
	Multiple Solvent Crystal Structures: Probing Binding Sites, Plasticity and Hydration [My Copy] Journal of Molecular Biology, Vol. 357, No. 5. (14 April 2006), pp. 1471-1482. by Carla Mattos, Cornelia R. Bellamacina, Ezra Peisach, et al.Antonio Pereira, Dennis Vitkup, Gregory A. Petsko, Dagmar Ringe posted to mscs hotspots by ubcg08l on 2009-10-07 10:03:16 as
	A computational procedure for determining energetically favorable binding sites on biologically important macromolecules [My Copy] Journal of Medicinal Chemistry, Vol. 28, No. 7. (1 July 1985), pp. 849-857. by P. J. Goodford posted to hotspots fragments by ubcg08l on 2009-09-21 16:03:53 as
	Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations. [My Copy] Protein science : a publication of the Protein Society, Vol. 11, No. 2. (1 February 2002), pp. 184-197. by Buyong Ma, Maxim Shatsky, Haim J. Wolfson, Ruth Nussinov posted to protein-ensembles hotspots hinges docking by ubcg08l on 2009-09-04 11:32:24 as along with 3 people and 1 group yongzhao ruvido jlh64 TSRI_MGL
	Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble. [My Copy] Chemical biology & drug design, Vol. 71, No. 2. (February 2008), pp. 106-116. by Melissa R. Landon, Rommie E. Amaro, Riccardo Baron, et al.Chi Ho H. Ngan, David Ozonoff, J. Andrew McCammon, Sandor Vajda posted to hotspots fragments by ubcg08l on 2009-09-01 11:41:07 as
	Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 104, No. 3. (16 January 2007), pp. 808-813. by Tom Young, Robert Abel, Byungchan Kim, Bruce J. Berne, Richard A. Friesner posted to water hydrophobicity hotspots by ubcg08l on 2009-08-27 09:09:30 as along with 5 people Diego_Prada LamBras daevans jwagoner zwang
	Identification of hot spots within druggable binding regions by computational solvent mapping of proteins. [My Copy] Journal of medicinal chemistry, Vol. 50, No. 6. (22 March 2007), pp. 1231-1240. by Melissa R. Landon, David R. Lancia, Jessamin Yu, Spencer C. Thiel, Sandor Vajda posted to hotspots fragments by ubcg08l on 2009-08-27 09:02:54 as along with 3 people bicko willpitt tjimenez
	Grand Canonical Monte Carlo Simulation of Ligand−Protein Binding [My Copy] Journal of Chemical Information and Modeling, Vol. 46, No. 1. (1 January 2006), pp. 231-242. by Matthew Clark, Frank Guarnieri, Igor Shkurko, Jeff Wiseman posted to scoring hotspots fragments docking by ubcg08l on 2009-08-27 08:56:45 as along with 2 people ttjoseph daevans
	Developing a dynamic pharmacophore model for HIV-1 integrase. [My Copy] Journal of medicinal chemistry, Vol. 43, No. 11. (1 June 2000), pp. 2100-2114. by H. A. Carlson, K. M. Masukawa, K. Rubins, et al.F. D. Bushman, W. L. Jorgensen, R. D. Lins, J. M. Briggs, J. A. McCammon posted to hotspots fragments conformational by ubcg08l on 2009-08-27 08:54:01 as along with 3 people apaydin dimka blackbart
	Exhaustive docking of molecular fragments with electrostatic solvation. [My Copy] Proteins, Vol. 37, No. 1. (1 October 1999), pp. 88-105. by N. Majeux, M. Scarsi, J. Apostolakis, C. Ehrhardt, A. Caflisch posted to hotspots fragments docking by ubcg08l on 2009-08-27 08:50:37 as along with 1 person apostola
	Probing Hot Spots at Protein−Ligand Binding Sites: A Fragment-Based Approach Using Biophysical Methods [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 16. (1 August 2006), pp. 4992-5000. by Alessio Ciulli, Glyn Williams, Alison G. Smith, Tom L. Blundell, Chris Abell posted to hotspots fragments by ubcg08l on 2009-08-11 15:25:40 as
	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 binding fragments hotspots pharmacophores by ubcg08l on 2009-08-10 16:01:17 as along with 3 people pauldobson kabookie reyez
	Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors. [My Copy] Proc Natl Acad Sci U S A, Vol. 93, No. 17. (August 1996), pp. 8945-8950. by P. A. Rejto, G. M. Verkhivker posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:05 as
	Quantifying intrinsic specificity: a potential complement to affinity in drug screening. [My Copy] Phys Rev Lett, Vol. 99, No. 19. (November 2007) by J. Wang, X. Zheng, Y. Yang, et al.D. Drueckhammer, W. Yang, G. Verkhivker, E. Wang posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:05 as
	Computational analysis of ligand binding dynamics at the intermolecular hot spots with the aid of simulated tempering and binding free energy calculations. [My Copy] J Mol Graph Model, Vol. 22, No. 5. (May 2004), pp. 335-348. by G. M. Verkhivker posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as
	Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface. [My Copy] Proteins, Vol. 53, No. 2. (November 2003), pp. 201-219. by G. M. Verkhivker, D. Bouzida, D. K. Gehlhaar, P. A. Rejto, S. T. Freer, P. W. Rose posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as
	Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: the energy landscape analysis of a hot spot at the intermolecular interface. [My Copy] Proteins, Vol. 48, No. 3. (August 2002), pp. 539-557. by G. M. Verkhivker, D. Bouzida, D. K. Gehlhaar, P. A. Rejto, S. T. Freer, P. W. Rose posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as
	Energy landscape theory, funnels, specificity, and optimal criterion of biomolecular binding. [My Copy] Phys Rev Lett, Vol. 90, No. 18. (May 2003) by J. Wang, G. M. Verkhivker posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as
	DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases [My Copy] Journal of Computer-Aided Molecular Design, Vol. 15, No. 5. (May 2001), pp. 411-428. by Todd J. Ewing, Shingo Makino, Geoffrey A. Skillman, Irwin D. Kuntz posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as
	Molecular recognition: the fragment approach in lead generation [My Copy] Drug Discovery Today, Vol. 9, No. 5. (March 2004), pp. 229-238. by Daniela Fattori posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as
	Medicinal chemistry of target family-directed masterkeys [My Copy] Drug Discovery Today, Vol. 8, No. 15. (August 2003), pp. 681-691. by Gerhard Muller posted to file-import-09-03-30 hotspots by ubcg08l on 2009-03-30 08:20:04 as

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fragments	57
hotspots	25
file-import-09-03-30	18
tautomerism	17
drug_discovery	15
protein-ensembles	14
experimental	14
rings	14
systems_biology	11
structure-based	11
differential_geometry	10
docking	10
conformational	8
snps	7
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allostery	6
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dna_binding_drugs	6
hinges	6
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p53	5
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scoring	3
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pharmacophores	3
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complexity	2
screening	2
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tfos	2
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virtual	2
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interactome	2
comformational	2
zinc_fingers	2
tethering	2
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normal-modes	2
efficiency	2
library	2
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bioinformatics	2
mscs	2
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ring	1
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receptor	1
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