Tag sm-prot [27 articles] Export

Recent papers classified by the tag sm-prot.

	Investigation of Atomic Level Patterns in Protein—Small Ligand Interactions [My Copy] PLoS ONE, Vol. 4, No. 2. (16 February 2009), e4473. by Ke Chen, Lukasz Kurgan posted to 2009 credo sm-prot by higueruelo on 2009-02-19 13:16:31 as along with 1 person ucbcjbm
	The importance of discerning shape in molecular pharmacology. [My Copy] Trends in pharmacological sciences (31 January 2009) by Sandhya Kortagere, Matthew D D. Krasowski, Sean Ekins posted to 2009 ppi shape sm-prot vs by higueruelo on 2009-02-04 12:06:55 as along with 2 people tbinbal massivemayhem
	The Thermodynamics of Protein-Ligand Interaction and Solvation: Insights for Ligand Design. [My Copy] Journal of molecular biology (9 October 2008) by Tjelvar S G S. Olsson, Mark A A. Williams, William R R. Pitt, John E E. Ladbury posted to 2008 sm-prot thermo xf by higueruelo on 2009-01-28 15:34:39 as along with 4 people and 1 group nickolay min013 dfgreen barry McCammon
	CREDO: A Protein-Ligand Interaction Database for Drug Discovery [My Copy] Chemical Biology & Drug Design, Vol. 73, No. 2. (February 2009), pp. 157-167. by Adrian Schreyer, Tom Blundell posted to 2009 credo pdb sm-prot by higueruelo on 2009-01-26 17:32:33 as along with 6 people mijam richardbickerton pansapiens bicko nanonan massivemayhem
	Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 2. (22 January 2009), pp. 397-406. by Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan posted to 2009 docking flexibility sm-prot by higueruelo on 2009-01-15 17:31:24 as along with 4 people fl sschurer carlosjavierna jerome
	Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Adam J. Smith, Xiyun Zhang, Andrew G. Leach, K. N. Houk posted to 2008 sm-prot thermo by higueruelo on 2008-11-26 10:04:10 as along with 2 people sschurer carlosjavierna
	Impact of Plasticity and Flexibility on Docking Results for Cytochrome P450 2D6: A Combined Approach of Molecular Dynamics and Ligand Docking [My Copy] J. Med. Chem. (11 November 2008) by Jozef Hritz, Anita de Ruiter, Chris Oostenbrink posted to 2008 docking flexibility sm-prot by higueruelo on 2008-11-12 16:28:36 as
	Hit Identification and Binding Mode Predictions by Rigorous Free Energy Simulations [My Copy] J. Med. Chem. (4 October 2008) by Julien Michel, Jonathan W. Essex posted to 2008 docking sm-prot by higueruelo on 2008-10-05 12:27:36 as
	Differences between High- and Low-Affinity Complexes of Enzymes and Nonenzymes. [My Copy] Journal of medicinal chemistry (1 October 2008) by Heather A. Carlson, Richard D. Smith, Nickolay A. Khazanov, Paul D. Kirchhoff, James B. Dunbar, Mark L. Benson posted to 2008 le sm-prot by higueruelo on 2008-10-04 21:02:06 as along with 1 person nickolay
	Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance [My Copy] Journal of Medicinal Chemistry, Vol. 50, No. 4. (1 February 2007), pp. 726-741. by Michael J. Hartshorn, Marcel L. Verdonk, Gianni Chessari, et al.Suzanne C. Brewerton, Wijnand T. M. Mooij, Paul N. Mortenson, Christopher W. Murray posted to 2007 docking druggable sm-prot by higueruelo on 2008-09-15 09:39:31 as along with 9 people flbarroso GermanErlenkamp massivemayhem BragilMassoud daevans ramensky hmk superpyrin thanatos
	Induced Disorder in Protein-Ligand Complexes as a Drug-Design Strategy. [My Copy] Molecular pharmaceutics (10 July 2008) by Alejandro Crespo, Ariel Fernández posted to 2008 disorder sm-prot by higueruelo on 2008-07-17 11:36:11 as
	Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 7. (1 July 2008), pp. 1396-1410. by Caterina Barillari, Gilles Marcou, Didier Rognan posted to 2008 hotspots sm-prot by higueruelo on 2008-07-15 17:44:56 as along with 3 people xdeupi tbinbal superpyrin
	(Thermo)dynamic role of receptor flexibility, entropy, and motional correlation in protein-ligand binding. [My Copy] Chemphyschem : a European journal of chemical physics and physical chemistry, Vol. 9, No. 7. (16 May 2008), pp. 983-988. by R. Baron, J. A. McCammon posted to 2008 flexibility sm-prot thermo by higueruelo on 2008-07-07 13:22:34 as along with 2 people and 1 group arlam rbaron Chang group
	Protein-Ligand Docking Accounting for Receptor Side Chain and Global Flexibility in Normal Modes: Evaluation on Kinase Inhibitor Cross Docking [My Copy] J. Med. Chem., Vol. 51, No. 12. (26 June 2008), pp. 3499-3506. by Andreas May, Martin Zacharias posted to 2008 docking kinases nma sm-prot by higueruelo on 2008-06-19 10:21:14 as along with 1 person aqeel
	MultiBind and MAPPIS: webservers for multiple alignment of protein 3D-binding sites and their interactions. [My Copy] Nucleic acids research, No. web server issue. (8 May 2008), pp. W260-W264. by Alexandra Shulman-Peleg, Maxim Shatsky, Ruth Nussinov, Haim J. J. Wolfson posted to 2008 ppi sm-prot xf by higueruelo on 2008-06-16 15:59:04 as along with 2 people massivemayhem reyez
	PDBcal: a comprehensive dataset for receptor-ligand interactions with three-dimensional structures and binding thermodynamics from isothermal titration calorimetry. [My Copy] Chemical biology & drug design, Vol. 71, No. 6. (June 2008), pp. 529-532. by L. Li, J. J. Dantzer, J. Nowacki, B. J. O'Callaghan, S. O. Meroueh posted to 2008 pdb sm-prot thermo by higueruelo on 2008-05-26 19:55:04 as along with 3 people flbarroso massivemayhem kintoki
	Ligand efficiency: a useful metric for lead selection [My Copy] Drug Discovery Today, Vol. 9, No. 10. (15 May 2004), pp. 430-431. by A. Hopkins posted to 2004 le sm-prot by higueruelo on 2008-04-28 14:21:04 as along with 6 people mijogiffin ubcg08l bicko Yanno daevans JALumley
	The use of protein-ligand interaction fingerprints in docking. [My Copy] Current opinion in drug discovery & development, Vol. 11, No. 3. (May 2008), pp. 356-364. by S. C. Brewerton posted to 2008 interactionfp review sm-prot by higueruelo on 2008-04-28 14:18:17 as along with 3 people flbarroso richardbickerton massivemayhem
	How Different are Structurally Flexible and Rigid Binding Sites? Sequence and Structural Features Discriminating Proteins that Do and Do not Undergo Conformational Change upon Ligand Binding. [My Copy] J Mol Biol (29 September 2006) by Kannan Gunasekaran, Ruth Nussinov posted to 2007 flexibility sm-prot by higueruelo on 2008-04-21 11:27:32 as along with 10 people and 1 group aqeel reyez BragilMassoud dgruiz radestock lna yongzhao choonpeng weisblum nickolay TSRI_MGL
	An improved relaxed complex scheme for receptor flexibility in computer-aided drug design. [My Copy] J Comput Aided Mol Des (15 January 2008) by Rommie E. Amaro, Riccardo Baron, J A. McCammon posted to 2008 dynamics flexibility sm-prot by higueruelo on 2008-02-21 16:55:41 as along with 6 people and 2 groups karinaecomp oteri jmccammon rbaron kazemi LamBras Structural Biology Group TorVergata McCammon
	PDBLIG: Classification of Small Molecular Protein Binding in the Protein Data Bank [My Copy] J. Med. Chem., Vol. 47, No. 15. (15 July 2004), pp. 3807-3816. by A. J. Chalk, C. L. Worth, J. P. Overington, A. W. E. Chan posted to 2004 sm-prot by higueruelo on 2008-02-04 18:28:07 as along with 2 people nickolay massivemayhem
	Physics-based methods for studying protein-ligand interactions. [My Copy] Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 325-331. by N. Huang, M. P. Jacobson posted to 2007 review sm-prot xf by higueruelo on 2008-01-27 14:26:37 as along with 3 people and 1 group flbarroso oteri superpyrin Structural Biology Group TorVergata
	Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2008), NA. by Ryoichi Minai, Yo Matsuo, Hiroyuki Onuki, Hiroshi Hirota posted to 2008 pocket sm-prot by higueruelo on 2008-01-26 12:55:08 as along with 6 people reyez ramensky tjimenez massivemayhem jteyra mingzhi
	Computational active site analysis of molecular pathways to improve functional classification of enzymes [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 72, No. 1. (23 January 2008), pp. 184-196. by A. Sinem Ozyurt, Thomas L. Selby posted to 2008 pocket sm-prot by higueruelo on 2008-01-26 12:24:20 as along with 1 person barmak7282
	Electrostatic Fields Near the Active Site of Human Aldose Reductase: 1. New Inhibitors and Vibrational Stark Effect Measurements [My Copy] Biochemistry (19 January 2008) by L. J. Webb, S. G. Boxer posted to 2008 fields halr2 sm-prot stark xf by higueruelo on 2008-01-19 12:48:27 as along with 1 person skoddet
	Functional group contributions to drug-receptor interactions. [My Copy] Journal of medicinal chemistry, Vol. 27, No. 12. (December 1984), pp. 1648-1657. by P. R. Andrews, D. J. Craik, J. L. Martin posted to 1984 abe sm-prot by higueruelo on 2008-01-17 21:25:04 as along with 1 person renatomilani
	STITCH: interaction networks of chemicals and proteins [My Copy] Nucl. Acids Res., Vol. 36, No. suppl_1. (11 January 2008), pp. D684-688. by Michael Kuhn, Christian von Mering, Monica Campillos, Lars J. Jensen, Peer Bork posted to 2007 db sm-prot xf by higueruelo on 2008-01-13 19:39:41 as along with 9 people and 1 group medic0747 mitko Cortel guhjy balicea massivemayhem bootsy sobolevnrm larsjuhljensen baker-group

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2008	16
docking	5
flexibility	5
xf	5
2007	4
2009	4
thermo	4
2004	2
credo	2
le	2
pdb	2
pocket	2
ppi	2
review	2
1984	1
abe	1
db	1
disorder	1
druggable	1
dynamics	1
fields	1
halr2	1
hotspots	1
interactionfp	1
kinases	1
nma	1
shape	1
stark	1
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Tag sm-prot [27 articles] Export

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