higueruelo's 2006 [57 articles] Export

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	Geometry, energetics, and dynamics of hydrogen bonds in proteins: structural information derived from NMR scalar couplings. [My Copy] Journal of the American Chemical Society, Vol. 128, No. 47. (29 November 2006), pp. 15127-15135. by J. Gsponer, H. Hopearuoho, A. Cavalli, C. M. Dobson, M. Vendruscolo posted to 2006 hb nmr thermo by higueruelo on 2009-07-28 12:09:09 as along with 1 person dgront
	Between a rock and a hard place? [My Copy] Nat Chem Biol, Vol. 2, No. 3. (March 2006), pp. 112-118. by A. Whitty, G. Kumaravel posted to 2006 ppi review sm by higueruelo on 2009-03-13 16:16:10 as along with 1 person Dualsystems
	SCOWLP: a web-based database for detailed characterization and visualization of protein interfaces. [My Copy] BMC Bioinformatics, Vol. 7, No. 1. (2 March 2006) by Joan Teyra, Andreas Doms, Michael Schroeder, M Teresa T. Pisabarro posted to 2006 db ppi by higueruelo on 2009-03-13 15:05:04 as along with 9 people and 2 groups timg flbarroso HawkinsJohnC jwm bicko chad_davis choonpeng jteyra Lombardo_7 Radiation_Damage Stressosome
	SCOPPI: a structural classification of protein-protein interfaces. [My Copy] Nucleic acids research, Vol. 34, No. Database issue. (1 January 2006) by Christof Winter, Andreas Henschel, Wan Kyu K. Kim, Michael Schroeder posted to 2006 db ppi by higueruelo on 2009-03-13 15:02:02 as along with 11 people and 4 groups dfdong winterschlaefer sjcockell ana kuhn bicko chad_davis marcius choonpeng Evangelia kintoki structural_bioinformatics Bioinformatics BioinfoCIPF SGU-CIPF
	ProtBuD: a database of biological unit structures of protein families and superfamilies [My Copy] Bioinformatics, Vol. 22, No. 23. (1 December 2006), pp. 2876-2882. by Qifang Xu, Adrian Canutescu, Zoran Obradovic, Roland L. Dunbrack posted to 2006 db ppi by higueruelo on 2009-03-13 14:59:57 as along with 2 people bicko chad_davis
	Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery. [My Copy] Philosophical transactions of the Royal Society of London. Series B, Biological sciences, Vol. 361, No. 1467. (29 March 2006), pp. 413-423. by T. L. Blundell, B. L. Sibanda, R. W. Montalvão, et al.S. Brewerton, V. Chelliah, C. L. Worth, N. J. Harmer, O. Davies, D. Burke posted to 2006 druggable fragments ppi review by higueruelo on 2008-09-24 11:26:44 as
	A Natural Coarse Graining for Simulating Large Biomolecular Motion. [My Copy] Biophys J (30 June 2006) by Holger Gohlke, Michael Thorpe posted to 2006 flexibility froda graph by higueruelo on 2008-09-12 15:08:05 as along with 3 people aqeel kupopo choonpeng
	New benzimidazoles as thrombopoietin receptor agonists. [My Copy] Bioorganic & medicinal chemistry letters, Vol. 16, No. 5. (1 March 2006), pp. 1212-1216. by I. G. Safonov, D. A. Heerding, R. M. Keenan, et al.A. T. Price, C. L. Erickson-Miller, C. B. Hopson, J. L. Levin, K. A. Lord, P. M. Tapley posted to 2006 ppi sm tpo xf by higueruelo on 2008-09-12 14:15:27 as
	Gaussian-weighted RMSD superposition of proteins: a structural comparison for flexible proteins and predicted protein structures. [My Copy] Biophys J, Vol. 90, No. 12. (15 June 2006), pp. 4558-4573. by K. L. Damm, H. A. Carlson posted to 2006 flexibility superpose by higueruelo on 2008-07-07 11:46:11 as along with 5 people mijam nickolay blackbart choonpeng rabio
	Protein ligand design: from phage display to synthetic protein epitope mimetics in human antibody Fc-binding peptidomimetics. [My Copy] Journal of the American Chemical Society, Vol. 128, No. 8. (1 March 2006), pp. 2726-2732. by R. L. Dias, R. Fasan, K. Moehle, A. Renard, D. Obrecht, J. A. Robinson posted to 2006 ab peptidomimetics phage by higueruelo on 2008-07-01 16:48:52 as
	Computational prediction of the cross-reactive neutralizing epitope corresponding to the monoclonal antibody b12 specific for HIV-1 gp120 [My Copy] FASEB J., Vol. 20, No. 11. (1 September 2006), pp. 1762-1774. by Erez M. Bublil, Sharon Yeger-Azuz, Jonathan M. Gershoni posted to 2006 ab mapitope peptides phage by higueruelo on 2008-07-01 10:46:03 as
	Bioactivation and hepatotoxicity of nitroaromatic drugs. [My Copy] Current drug metabolism, Vol. 7, No. 7. (October 2006), pp. 715-727. by U. A. Boelsterli, H. K. Ho, S. Zhou, K. Y. Leow posted to 2006 nitro review by higueruelo on 2008-05-26 12:24:39 as
	SAR by NMR: Putting the Pieces Together [My Copy] Mol. Interv., Vol. 6, No. 5. (1 October 2006), pp. 266-272. by Philip J. Hajduk posted to 2006 fragments method nmr review sar by higueruelo on 2008-05-24 20:22:38 as along with 1 person viktor21614
	Universal screening methods and applications of ThermoFluor. [My Copy] Journal of biomolecular screening : the official journal of the Society for Biomolecular Screening, Vol. 11, No. 7. (October 2006), pp. 854-863. by M. D. Cummings, M. A. Farnum, M. I. Nelen posted to 2006 method thermofluor by higueruelo on 2008-05-24 19:50:37 as
	Identifying small-molecule modulators of protein-protein interactions. [My Copy] Current protocols in protein science / editorial board, John E. Coligan ... [et al.], Vol. Chapter 19 (December 2006) by A. R. Horswill, S. J. Benkovic posted to 2006 peptides ppi by higueruelo on 2008-04-28 14:14:07 as
	Coupling of global and local vibrational modes in dynamic allostery of proteins. [My Copy] Biophys J (23 June 2006) by Rhoda J J. Hawkins, Tom C B C. McLeish posted to 2006 allosteric dynamics xf by higueruelo on 2008-03-26 10:30:49 as along with 2 people lna choonpeng
	Inhibitor discovery targeting the intermediate structure of beta-amyloid peptide on the conformational transition pathway: implications in the aggregation mechanism of beta-amyloid peptide. [My Copy] Biochemistry, Vol. 45, No. 36. (12 September 2006), pp. 10963-10972. by D. Liu, Y. Xu, Y. Feng, et al.H. Liu, X. Shen, K. Chen, J. Ma, H. Jiang posted to 2006 amyloid dynamics flexibility ppi sm xf by higueruelo on 2008-03-19 10:48:28 as
	The Allosteric Mechanism of Yeast Chorismate Mutase: A Dynamic Analysis [My Copy] Journal of Molecular Biology, Vol. 356, No. 1. (10 February 2006), pp. 237-247. by Yifei Kong, Jianpeng Ma, Martin Karplus, William N. Lipscomb posted to 2006 allosteric dynamics flexibility nma by higueruelo on 2008-03-19 10:16:45 as along with 2 people and 2 groups barry ruvido structural_bioinformatics Bioinformatics
	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 2006 dynamics review by higueruelo on 2008-02-21 16:57:18 as along with 5 people flbarroso yxue tovrstra aqeel LamBras
	Low-frequency normal modes that describe allosteric transitions in biological nanomachines are robust to sequence variations [My Copy] PNAS, Vol. 103, No. 20. (16 May 2006), pp. 7664-7669. by Wenjun Zheng, Bernard R. Brooks, D. Thirumalai posted to 2006 allosteric nma by higueruelo on 2008-02-21 14:08:45 as along with 1 person aqeel
	Interactions in Native Binding Sites Cause a Large Change in Protein Dynamics [My Copy] Journal of Molecular Biology, Vol. 358, No. 1. (21 April 2006), pp. 213-223. by Dengming Ming, Michael E. Wall posted to 2006 allosteric dynamics by higueruelo on 2008-02-21 14:05:35 as along with 2 people aqeel ruvido
	Analysis of Molecular Recognition Features (MoRFs) [My Copy] Journal of Molecular Biology, Vol. 362, No. 5. (6 October 2006), pp. 1043-1059. by Amrita Mohan, Christopher J. Oldfield, Predrag Radivojac, et al.Vladimir Vacic, Marc S. Cortese, Keith A. Dunker, Vladimir N. Uversky posted to 2006 disorder flexibility morfs ppi xf by higueruelo on 2008-02-11 16:29:12 as along with 2 people carlosjavierna Evangelia
	An algorithm for predicting protein-protein interaction sites: Abnormally exposed amino acid residues and secondary structure elements. [My Copy] Protein Sci, Vol. 15, No. 5. (May 2006), pp. 1017-1029. by J. Hoskins, S. Lovell, T. L. Blundell posted to 2006 interface ppi by higueruelo on 2008-02-06 20:08:38 as along with 4 people mkotlyar kshameer bicko drastic
	How many drug targets are there? [My Copy] Nature Reviews Drug Discovery, Vol. 5, No. 12., pp. 993-996. by John P. Overington, Bissan Al-Lazikani, Andrew L. Hopkins posted to 2006 druggable by higueruelo on 2008-02-04 18:17:30 as along with 10 people and 1 group BragilMassoud cannin kuhn bicko mingzhi srp33 ramensky aheilbut gemmalholliday ajaymalik libr
	Structural biology of cellular machines [My Copy] Trends in Cell Biology, Vol. 16, No. 3. (March 2006), pp. 144-150. by Wah Chiu, Matthew L. Baker, Steven C. Almo posted to 2006 ppi review struct-determination by higueruelo on 2008-02-03 11:50:51 as along with 2 people stevanspringer mkuzak
	Refinement of protein structures by iterative comparative modeling and CryoEM density fitting. [My Copy] Journal of molecular biology, Vol. 357, No. 5. (14 April 2006), pp. 1655-1668. by Maya Topf, Matthew L. Baker, Marc A. Marti-Renom, Wah Chiu, Andrej Sali posted to 2006 ppi struct-determination by higueruelo on 2008-02-03 11:48:57 as along with 1 person bratwurst
	Target selection for complex structural genomics [My Copy] Current Opinion in Structural Biology In Nucleic acids/Sequences and topology - Anna Marie Pyle and Jonathan Widom/Nick V Grishin and Sarah A Teichmann, Vol. 16, No. 3. (June 2006), pp. 385-392. by Jeronimo Bravo, Patrick Aloy posted to 2006 ppi review struct-determination by higueruelo on 2008-02-03 11:40:31 as along with 2 people and 2 groups ana timg structural_bioinformatics Bioinformatics
	Structural systems biology: modelling protein interactions. [My Copy] Nature reviews. Molecular cell biology, Vol. 7, No. 3. (March 2006), pp. 188-197. by Patrick Aloy, Robert B. Russell posted to 2006 ppdocking ppi review struct-determination by higueruelo on 2008-02-03 11:36:32 as along with 24 people and 3 groups flbarroso timg chica Scis0000002 ubcg08l ana aalibes bicko xico dgront drastic choonpeng henschel ruvido massivemayhem cat_worth fishtank iris_2001 gvuister lpfernandes Evangelia andreas_foersch chad_davis jteyra structural_bioinformatics Bioinformatics WetBiology
	Revisiting the Voronoi description of protein-protein interfaces. [My Copy] Protein Sci, Vol. 15, No. 9. (September 2006), pp. 2082-2092. by F. Cazals, F. Proust, R. P. Bahadur, J. Janin posted to 2006 interface ppi by higueruelo on 2008-02-03 11:33:35 as along with 3 people dgruiz bicko kdesmond
	REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors. [My Copy] Chembiochem, Vol. 7, No. 12. (December 2006), pp. 1909-1915. by M. J. Andrews, G. Kontopidis, C. McInnes, et al.A. Plater, L. Innes, A. Cowan, P. Jewsbury, P. M. Fischer posted to 2006 cdk2 peptidomimetics ppi xf by higueruelo on 2008-01-30 16:40:14 as
	Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. [My Copy] J Med Chem, Vol. 49, No. 13. (29 June 2006), pp. 3759-3762. by Y. Lu, Z. Nikolovska-Coleska, X. Fang, et al.W. Gao, S. Shangary, S. Qiu, D. Qin, S. Wang posted to 2006 mdm2 p53 ppi sm xf by higueruelo on 2008-01-28 12:00:04 as along with 2 people blackbart pkolb
	High-resolution protein-protein docking [My Copy] Current Opinion in Structural Biology In Theory and simulation/Macromolecular assemblages - Joel Janin and Michael Levitt/Edward H Egelman and Andrew GW Leslie, Vol. 16, No. 2. (April 2006), pp. 183-193. by Jeffrey J. Gray posted to 2006 ppdocking review by higueruelo on 2008-01-27 18:21:06 as along with 7 people flbarroso aqeel jwm ima bluvsh1 ruvido cjeans
	Flexible protein-protein docking [My Copy] Current Opinion in Structural Biology In Theory and simulation/Macromolecular assemblages - Joel Janin and Michael Levitt/Edward H Egelman and Andrew GW Leslie, Vol. 16, No. 2. (April 2006), pp. 194-200. by Alexandre M. J. J. Bonvin posted to 2006 flexibility ppdocking review by higueruelo on 2008-01-27 18:09:57 as along with 11 people and 3 groups timg flbarroso oteri laurabailey dgruiz aqeel bicko yongzhao ima sangeetha gloria Bioinformatics TSRI_MGL insilicodrug
	Divergence of interdomain geometry in two-domain proteins. [My Copy] Structure (London, England : 1993), Vol. 14, No. 5. (May 2006), pp. 935-945. by J. H. Han, N. Kerrison, C. Chothia, S. A. Teichmann posted to 2006 interface ppi by higueruelo on 2008-01-27 18:04:03 as along with 4 people chica choonpeng cjeans gulkur
	Do benzodiazepines mimic reverse-turn structures? [My Copy] Journal of Computer-Aided Molecular Design, Vol. 20, No. 5. (May 2006), pp. 321-331. by Hata, Masayuki, Marshall, R. Garland posted to 2006 bzd peptidomimetics sm xf by higueruelo on 2008-01-27 14:17:43 as along with 1 person jjurban
	Unraveling the Importance of Protein−Protein Interaction: Application of a Computational Alanine-Scanning Mutagenesis to the Study of the IgG1 Streptococcal Protein G (C2 Fragment) Complex [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 22. (1 June 2006), pp. 10962-10969. by Irina S. Moreira, Pedro A. Fernandes, Maria J. Ramos posted to 2006 alascanning hotspots igg1 ppi by higueruelo on 2008-01-07 19:04:33 as along with 2 people flbarroso IrinaMoreira
	Co-expression of protein complexes in prokaryotic and eukaryotic hosts: experimental procedures, database tracking and case studies [My Copy] Acta Crystallographica Section D Biological Crystallography by Romier posted to 2006 ppi struct-determination by higueruelo on 2008-01-07 19:00:25 as
	Rational drug design via intrinsically disordered protein [My Copy] Trends in Biotechnology, Vol. 24, No. 10. (October 2006), pp. 435-442. by Y. Cheng, T. Legall, C. Oldfield, et al.J. Mueller, Y. Van, P. Romero, M. Cortese, V. Uversky, A. Dunker posted to 2006 disorder flexibility motion ppi review sm xf by higueruelo on 2008-01-04 12:46:59 as along with 2 people carlosjavierna taianah
	Protein-protein interactions in the allosteric regulation of protein kinases [My Copy] Current Opinion in Structural Biology In Catalysis and regulation / Proteins, Vol. 16, No. 6. (December 2006), pp. 702-709. by Patricia Pellicena, John Kuriyan posted to 2006 allosteric kinases ppi by higueruelo on 2007-12-21 10:46:20 as along with 3 people ubcg08l lna choonpeng
	Beta strand peptidomimetics as potent PDZ domain ligands. [My Copy] Chem Biol, Vol. 13, No. 12. (December 2006), pp. 1247-1251. by M. C. Hammond, B. Z. Harris, W. A. Lim, P. A. Bartlett posted to 2006 pdz peptidomimetics ppi xf by higueruelo on 2007-12-01 19:22:46 as
	Targeting Protein-Protein Interactions with Small Molecules: Challenges and Perspectives for omputational Binding Epitope Detection and Ligand Finding [My Copy] Current Medicinal Chemistry, Vol. 13, No. 22. (September 2006), pp. 2607-2625. by Gonzalez-Ruiz, Domingo, Gohlke, Holger posted to 2006 ppi review sm by higueruelo on 2007-12-01 15:35:17 as along with 2 people dgruiz aqeel
	Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction. [My Copy] J Med Chem, Vol. 49, No. 12. (15 June 2006), pp. 3432-3435. by K. Ding, Y. Lu, Z. Nikolovska-Coleska, et al.G. Wang, S. Qiu, S. Shangary, W. Gao, D. Qin, J. Stuckey, K. Krajewski, P. P. Roller, S. Wang posted to 2006 mdm2 p53 ppi sm xf by higueruelo on 2007-12-01 15:15:05 as along with 1 person blackbart
	Thermodynamics of protein-protein interactions of cMyc, Max, and Mad: effect of polyions on protein dimerization. [My Copy] Biochemistry, Vol. 45, No. 7. (21 February 2006), pp. 2333-2338. by A. Banerjee, J. Hu, D. J. Goss posted to 2006 complex max myc ppi thermo by higueruelo on 2007-12-01 14:55:31 as
	Domain-based small molecule binding site annotation. [My Copy] BMC Bioinformatics, Vol. 7 (2006) by K. A. Snyder, H. J. Feldman, M. Dumontier, J. J. Salama, C. W. Hogue posted to 2006 db sm smid by higueruelo on 2007-11-28 20:36:51 as
	Chapter 11 Recent Advances in Design of Small-Molecule Ligands to Target Protein–Protein Interactions [My Copy] Annual Reports in Computational Chemistry, Vol. 2 (2006), pp. 197-219. by Chao-Yie Yang, Shaomeng Wang posted to 2006 ppi review sm xf by higueruelo on 2007-11-28 20:31:08 as
	Targeting protein-protein interactions by rational design: mimicry of protein surfaces [My Copy] Journal of The Royal Society Interface, Vol. 3, No. 7. (22 April 2006), pp. 215-233. by Steven Fletcher, Andrew D. Hamilton posted to 2006 peptidomimetics ppi review sm by higueruelo on 2007-11-28 20:21:06 as
	Development of small molecules designed to modulate proteinprotein interactions [My Copy] Journal of Computer-Aided Molecular Design, Vol. 20, No. 2. (February 2006), pp. 109-130. by Che, Ye, Brooks, Bernard, Marshall, Garland posted to 2006 ppi review sm xf by higueruelo on 2007-11-28 20:18:21 as along with 1 person allmensch
	Selective inhibition of c-Myc/Max dimerization and DNA binding by small molecules. [My Copy] Chem Biol, Vol. 13, No. 7. (July 2006), pp. 745-751. by A. Kiessling, B. Sperl, A. Hollis, D. Eick, T. Berg posted to 2006 intimbal max myc ppi sm by higueruelo on 2007-11-26 17:38:00 as along with 1 person Dualsystems
	Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design [My Copy] Bioorganic & Medicinal Chemistry, Vol. 14, No. 23. (1 December 2006), pp. 7953-7961. by Desiree H. Tsao, Alan G. Sutherland, Lee Jennings, et al.Yuanhong Li, Rush, Juan C. Alvarez, Weidong Ding, Elizabeth G. Dushin, Russell G. Dushin, Steve A. Haney, Cynthia H. Kenny, Karl, Ramaswamy Nilakantan, Lidia Mosyak posted to 2006 ftsz intimbal nmr ppi sm wyeth zipa by higueruelo on 2007-11-26 17:35:18 as along with 1 person bicko
	Inhibition of protein-protein interactions: The discovery of druglike beta-catenin inhibitors by combining virtual and biophysical screening [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 64, No. 1. (2006), pp. 60-67. by Jean-Yves Trosset, Claudio Dalvit, Stefan Knapp, et al.Marina Fasolini, Marina Veronesi, Sergio Mantegani, Laura M. Gianellini, Cornel Catana, Michael Sundström, Pieter F. W. Stouten, Jürgen K. Moll posted to 2006 betacatenin intimbal ppi sm tcf by higueruelo on 2007-11-26 17:25:27 as

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