higueruelo's flexibility [84 articles] Export

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	The role of dynamic conformational ensembles in biomolecular recognition [My Copy] Nature Chemical Biology, Vol. 5, No. 11. (10 October 2009), pp. 789-796. by David D. Boehr, Ruth Nussinov, Peter E. Wright posted to scissors flexibility 2009 by higueruelo on 2009-11-03 12:19:15 as along with 3 people skywalkerus02 ubcg08l paulschlesinger
	Conformational Landscape of the Human Immunodeficiency Virus Type 1 Reverse Transcriptase Non-Nucleoside Inhibitor Binding Pocket: Lessons for Inhibitor Design from a Cluster Analysis of Many Crystal Structures [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Kristina A. Paris, Omar Haq, Anthony K. Felts, Kalyan Das, Eddy Arnold, Ronald M. Levy posted to hiv1 flexibility 2009 by higueruelo on 2009-09-26 12:40:52 as
	The origin of allosteric functional modulation: multiple pre-existing pathways. [My Copy] Structure (London, England : 1993), Vol. 17, No. 8. (12 August 2009), pp. 1042-1050. by Antonio del Sol, Chung-Jung J. Tsai, Buyong Ma, Ruth Nussinov posted to flexibility allosteric 2009 by higueruelo on 2009-09-03 14:10:36 as along with 4 people and 2 groups ubcg08l pablocarb okapi barry structural_bioinformatics McCammon
	Structural and Biophysical Characterization of XIAP BIR3 G306E Mutant: Insights in Protein Dynamics and Application for Fragment-Based Drug Design. [My Copy] Chemical biology & drug design (29 July 2009) by Cathy D. Moore, Haihong Wu, Ben Bolanños, et al.Simon Bergqvist, Alexei Brooun, Tom Pauly, Dawn Nowlin posted to 2009 flexibility fragments mutant-design ppi sm xf by higueruelo on 2009-08-10 14:12:39 as
	Hierarchical plasticity from pair distance fluctuations [My Copy] Physical Biology, Vol. 6, No. 3. (September 2009), 036017. by S. A. Menor, Adam M. Graff, M. F. Thorpe posted to 2009 complex flexibility ppi by higueruelo on 2009-07-29 14:32:48 as along with 1 person sobolevnrm
	Elastic Potential Grids: Accurate and Efficient Representation of Intermolecular Interactions for Fully Flexible Docking. [My Copy] ChemMedChem (9 June 2009) by Sina Kazemi, Dennis M. Krüger, Finton Sirockin, Holger Gohlke posted to 2009 docking flexibility by higueruelo on 2009-06-29 14:09:23 as
	Protein Segments with Conformationally Restricted Amino Acids Can Control Supramolecular Organization at the Nanoscale [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 7. (27 July 2009), pp. 1623-1629. by David Zanuy, Gema Ballano, Ana I. Jiménez, et al.Jordi Casanovas, Nurit Haspel, Carlos Cativiela, David Curcó, Ruth Nussinov, Carlos Alemán posted to 2009 flexibility morfs by higueruelo on 2009-06-29 14:07:39 as along with 1 person zfekete
	Small Molecules Bound to Unique Sites in the Target Protein Binding Cleft of Calcium-Bound S100B As Characterized by Nuclear Magnetic Resonance and X-ray Crystallography [My Copy] Biochemistry, Vol. 48, No. 26. (7 July 2009), pp. 6202-6212. by Thomas H. Charpentier, Paul T. Wilder, Melissa A. Liriano, et al.Kristen M. Varney, Shijun Zhong, Andrew Coop, Edwin Pozharski, Alexander D. Mackerell, Eric A. Toth, David J. Weber posted to 2009 flexibility p53 ppi s100b sm xf by higueruelo on 2009-06-03 10:12:35 as along with 1 person carlosjavierna
	Impact of linker strain and flexibility in the design of a fragment-based inhibitor [My Copy] Nat Chem Biol, Vol. 5, No. 6. (June 2009), pp. 407-413. by Suhman Chung, Jared B. Parker, Mario Bianchet, L. Mario Amzel, James T. Stivers posted to 2009 flexibility fragments by higueruelo on 2009-05-20 17:03:02 as along with 1 person reyez
	Constraint counting on RNA structures: Linking flexibility and function. [My Copy] Methods (San Diego, Calif.) (24 April 2009) by Simone Fulle, Holger Gohlke posted to 2009 flexibility rna by higueruelo on 2009-04-30 14:28:32 as
	Study of MDM2 Binding to p53-Analogues: Affinity, Helicity, and Applicability to Drug Design. [My Copy] Journal of chemical information and modeling (26 March 2009) by Ori Kalid, Nir Ben-Tal posted to 2009 flexibility mdm2 p53 peptidomimetics ppi by higueruelo on 2009-04-01 08:49:27 as
	Regulating highly dynamic unstructured proteins and their coding mRNAs [My Copy] Genome Biology, Vol. 10 (28 January 2009), 204. by Buyong Ma, Ruth Nussinov posted to 2009 disorder flexibility mrna by higueruelo on 2009-03-03 13:13:18 as
	Assessing drug-likeness - what are we missing? [My Copy] Drug Discovery Today, Vol. 13, No. 7-8. (April 2008), pp. 285-294. by Giulio Vistoli, Alessandro Pedretti, Bernard Testa posted to 2009 flexibility molecsensitivity props review sm by higueruelo on 2009-03-02 18:38:26 as along with 1 person elvinado
	Protein folding: lessons learned and new frontiers. [My Copy] Physical biology, Vol. 6, No. 1. (2009) by Rohit V. Pappu, Ruth Nussinov posted to 2009 flexibility folding by higueruelo on 2009-02-12 16:23:00 as
	Domain mobility in proteins: functional and evolutionary implications. [My Copy] Briefings in bioinformatics, Vol. 10, No. 3. (16 May 2009), pp. 205-216. by Malay Kumar K. Basu, Eugenia Poliakov, Igor B. Rogozin posted to 2009 disorder flexibility by higueruelo on 2009-01-22 11:21:20 as along with 2 people reyez druvus
	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
	Do viral proteins possess unique biophysical features? [My Copy] Trends in biochemical sciences (3 December 2008) by Nobuhiko Tokuriki, Christopher J J. Oldfield, Vladimir N N. Uversky, Igor N N. Berezovsky, Dan S S. Tawfik posted to 2008 flexibility thermo by higueruelo on 2008-12-10 17:32:33 as along with 2 people and 2 groups sobolevnrm barry baker-group McCammon
	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
	A new generation of peptide-based inhibitors targeting HIV-1 reverse transcriptase conformational flexibility. [My Copy] The Journal of biological chemistry (23 October 2008) by Audrey Agopian, Edwige Gros, Gudrun Aldrian-Herrada, Nathalie Bosquet, Pascal Clayette, Gilles Divita posted to 2008 flexibility hiv1 peptidomimetics by higueruelo on 2008-10-28 15:20:11 as along with 1 person raik
	Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding [My Copy] J. Med. Chem., Vol. 47, No. 10. (6 May 2004), pp. 2499-2510. by E. Perola, P. S. Charifson posted to 2004 flexibility strainenergy by higueruelo on 2008-09-15 18:03:35 as along with 2 people daevans superpyrin
	Target Flexibility: An Emerging Consideration in Drug Discovery and Design. [My Copy] Journal of medicinal chemistry (12 September 2008) by Pietro Cozzini, Glen E. Kellogg, Francesca Spyrakis, et al.Donald J. Abraham, Gabriele Costantino, Andrew Emerson, Francesca Fanelli, Holger Gohlke, Leslie A. Kuhn, Garrett M. Morris, Modesto Orozco, Thelma A. Pertinhez, Menico Rizzi, Christoph A. Sotriffer posted to 2008 flexibility review by higueruelo on 2008-09-15 13:11:10 as along with 2 people aqeel reyez
	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
	HingeMaster: Normal mode hinge prediction approach and integration of complementary predictors [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 73, No. 2. (2008), pp. 299-319. by Samuel C. Flores, Kevin S. Keating, Jay Painter, et al.Faruck Morcos, Khang Nguyen, Ethan A. Merritt, Leslie A. Kuhn, Mark B. Gerstein posted to 2008 flexibility hinge by higueruelo on 2008-09-10 16:57:17 as
	What induces pocket openings on protein surface patches involved in protein-protein interactions? [My Copy] Journal of computer-aided molecular design, Vol. 23, No. 2. (6 February 2009), pp. 73-86. by Susanne Eyrisch, Volkhard Helms posted to 2008 dynamics flexibility nma pocket ppi xf by higueruelo on 2008-09-10 15:58:12 as along with 3 people and 1 group arifor allmensch jmccammon McCammon
	Role of protein flexibility in the design of Bcl-X(L) targeting agents: insight from molecular dynamics. [My Copy] Journal of computer-aided molecular design (9 September 2008) by William Novak, Hongming Wang, Goran Krilov posted to 2008 dynamics flexibility ppi by higueruelo on 2008-09-10 14:53:31 as along with 2 people LamBras paulschlesinger
	Cooperativity and biological complexity. [My Copy] Nature chemical biology, Vol. 4, No. 8. (August 2008), pp. 435-439. by Adrian Whitty posted to 2008 allosteric flexibility review by higueruelo on 2008-09-05 16:27:00 as along with 4 people ubcg08l chica paulschlesinger phoenixzxl
	Protein flexibility and intrinsic disorder. [My Copy] Protein Sci, Vol. 13, No. 1. (January 2004), pp. 71-80. by P. Radivojac, Z. Obradovic, D. K. Smith, et al.G. Zhu, S. Vucetic, C. J. Brown, J. D. Lawson, A. K. Dunker posted to 2004 disorder flexibility by higueruelo on 2008-07-17 10:01:06 as along with 1 person bicko
	Normal Modes and Essential Dynamics [My Copy] Molecular Modeling of Proteins, Vol. 443 (2008), pp. 89-106. by Steven Hayward, Bert L. Groot posted to 2008 dynamics flexibility nma by higueruelo on 2008-07-07 16:36:48 as along with 4 people and 1 group arybakov ruvido csrocha LamBras structural_bioinformatics
	(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
	Entropic contributions and the influence of the hydrophobic environment in promiscuous protein-protein association [My Copy] Proceedings of the National Academy of Sciences, Vol. 105, No. 21. (27 May 2008), pp. 7456-7461. by Chia-En A. Chang, William A. Mclaughlin, Riccardo Baron, Wei Wang, Andrew J. Mccammon posted to 2008 flexibility ppi thermo by higueruelo on 2008-07-07 13:21:09 as along with 2 people flbarroso cactus
	Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system. [My Copy] Journal of the American Chemical Society, Vol. 129, No. 12. (28 March 2007), pp. 3634-3640. by A. L. Bowman, M. G. Lerner, H. A. Carlson posted to 2007 dhfr flexibility by higueruelo on 2008-07-07 11:54:33 as
	Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case. [My Copy] J Am Chem Soc, Vol. 126, No. 41. (20 October 2004), pp. 13276-13281. by K. L. Meagher, H. A. Carlson posted to 2004 flexibility hiv1 by higueruelo on 2008-07-07 11:53:20 as along with 2 people sschurer blackbart
	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
	Exploring Experimental Sources of Multiple Protein Conformations in Structure-Based Drug Design [My Copy] Journal of the American Chemical Society, Vol. 129, No. 26. (1 July 2007), pp. 8225-8235. by Kelly L. Damm, Heather A. Carlson posted to 2007 flexibility hiv1 nmr by higueruelo on 2008-07-07 11:44:18 as along with 1 person ubcg08l
	Exploring the Energy Landscape of Antibody-Antigen Complexes: Protein Dynamics, Flexibility, and Molecular Recognition [My Copy] Biochemistry, Vol. 47, No. 27. (8 July 2008), pp. 7237-7247. by Megan C. Thielges, Jörg Zimmermann, Wayne Yu, Masayuki Oda, Floyd E. Romesberg posted to 2008 ab dynamics flexibility by higueruelo on 2008-07-01 14:10:41 as
	Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution [My Copy] Science, Vol. 320, No. 5882. (13 June 2008), pp. 1471-1475. by Oliver F. Lange, Nils-Alexander Lakomek, Christophe Fares, et al.Gunnar F. Schroder, Korvin F. A. Walter, Stefan Becker, Jens Meiler, Helmut Grubmuller, Christian Griesinger, Bert L. de Groot posted to 2008 dynamics flexibility by higueruelo on 2008-06-24 20:09:59 as along with 6 people and 3 groups anna_yershova edws paulschlesinger barry jmccammon cchang structural_bioinformatics McCammon Chang group
	BIOCHEMISTRY: How Do Proteins Interact? [My Copy] Science, Vol. 320, No. 5882. (13 June 2008), pp. 1429-1430. by David D. Boehr, Peter E. Wright posted to 2008 disorder dynamics flexibility ppi by higueruelo on 2008-06-24 20:06:28 as along with 6 people victorclaessen boris_aguilar reyez dchughes dullhunk paulschlesinger
	Quantitative lid dynamics of MDM2 reveals differential ligand binding modes of the p53-binding cleft. [My Copy] Journal of the American Chemical Society, Vol. 130, No. 20. (21 May 2008), pp. 6472-6478. by S. A. Showalter, L. Bruschweiler-Li, E. Johnson, F. Zhang, R. Brüschweiler posted to 2008 complex dynamics flexibility mdm2 p53 ppi sm by higueruelo on 2008-06-24 19:48:58 as
	Solution Conformations and Dynamics of ABL Kinase-Inhibitor Complexes Determined by NMR Substantiate the Different Binding Modes of Imatinib/Nilotinib and Dasatinib [My Copy] J. Biol. Chem., Vol. 283, No. 26. (27 June 2008), pp. 18292-18302. by Navratna Vajpai, Andre Strauss, Gabriele Fendrich, et al.Sandra W. Cowan-Jacob, Paul W. Manley, Stephan Grzesiek, Wolfgang Jahnke posted to 2008 abl dynamics flexibility kinases by higueruelo on 2008-06-24 18:44:18 as
	Active Site Pressurization: A New Tool for Structure-Guided Drug Design and Other Studies of Protein Flexibility [My Copy] J. Chem. Inf. Model. (14 June 2008) by Ian M. Withers, Michael P. Mazanetz, Hao Wang, Peter M. Fischer, Charles A. Laughton posted to 2008 dynamics flexibility pocket by higueruelo on 2008-06-24 18:41:56 as
	Constrained geometric simulation of diffusive motion in proteins [My Copy] Physical Biology, Vol. 2, No. 4. (December 2005), S127. by Stephen Wells, Scott Menor, Brandon Hespenheide, M. F. Thorpe posted to 2005 flexibility froda graph by higueruelo on 2008-04-26 18:57:22 as along with 2 people and 2 groups apaydin barry structural_bioinformatics Bioinformatics
	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
	Coarse-grained model of entropic allostery. [My Copy] Phys Rev Lett, Vol. 93, No. 9. (27 August 2004) by R. J. Hawkins, T. C. McLeish posted to 2004 allosteric flexibility xf by higueruelo on 2008-03-26 10:29:33 as along with 2 people lna ruvido
	Overcoming the Inadequacies or Limitations of Experimental Structures as Drug Targets by Using Computational Modeling Tools and Molecular Dynamics Simulations [My Copy] ChemMedChem, Vol. 2, No. 10. (2007), pp. 1388-1401. by Esther Marco, Federico Gago posted to 2007 dynamics flexibility nma review xf by higueruelo on 2008-03-25 15:02:25 as along with 1 person dimka
	The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules. [My Copy] Chem Biol, Vol. 15, No. 2. (February 2008), pp. 111-117. by J. Raaf, E. Brunstein, O. G. Issinger, K. Niefind posted to 2008 allosteric flexibility kinases sm xf by higueruelo on 2008-03-20 16:52:44 as
	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
	Usefulness and limitations of normal mode analysis in modeling dynamics of biomolecular complexes. [My Copy] Structure (Camb), Vol. 13, No. 3. (March 2005), pp. 373-380. by J. Ma posted to 2005 dynamics flexibility nma review by higueruelo on 2008-03-19 10:27:13 as along with 3 people RamuAnandakrishnan aqeel shuns
	The role of shape in determining molecular motions. [My Copy] Biophys J, Vol. 89, No. 4. (October 2005), pp. 2395-2401. by M. Lu, J. Ma posted to 2005 flexibility nma shape by higueruelo on 2008-03-19 10:21:15 as along with 1 person aqeel
	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
	Inhibition Mechanism of the Acetylcholine Receptor by α-Neurotoxins as Revealed by Normal-Mode Dynamics [My Copy] Biochemistry (8 March 2008) by Abraham O. Samson, Michael Levitt posted to 2008 dynamics flexibility nma xf by higueruelo on 2008-03-14 14:41:39 as

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ppi	438
xf	262
sm	241
review	165
2008	164
2007	144
2009	142
flexibility	84
interface	78
2005	58
2006	57
peptidomimetics	51
disorder	41
intimbal	41
2004	35
druggable	34
thermo	33
allosteric	32
db	27
sm-prot	27
p53	26
hotspots	25
dynamics	24
peptides	24
pocket	24
mdm2	22
bcl2	21
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2002	20
complex	20
hiv1	19
2003	17
method	17
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nma	10
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abbott	7
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higueruelo's flexibility [84 articles] Export

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