higueruelo's thermo [33 articles] Export

Recent papers added to higueruelo's library classified by the tag thermo. You can also see everyone's thermo.

	Investigation on the individual contributions of N--H...O==C and C--H...O==C interactions to the binding energies of beta-sheet models. [My Copy] Journal of computational chemistry (9 October 2009) by Chang-Sheng S. Wang, Chang-Liang L. Sun posted to thermo betaturn 2009 by higueruelo on 2009-10-14 14:33:33 as
	A Thermodynamic Approach to the Affinity Optimization of Drug Candidates [My Copy] Chemical Biology & Drug Design, Vol. 9999, No. 9999. (2009) by Ernesto Freire posted to thermo scissors 2009 by higueruelo on 2009-09-30 14:14:19 as
	The maximal affinity of ligands. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 96, No. 18. (31 August 1999), pp. 9997-10002. by I. D. Kuntz, K. Chen, K. A. Sharp, P. A. Kollman posted to thermo affinity 1999 by higueruelo on 2009-09-08 18:23:25 as along with 6 people ubcg08l bicko pslee BragilMassoud alexg superpyrin
	Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design. [My Copy] Journal of medicinal chemistry, Vol. 35, No. 10. (15 May 1992), pp. 1671-1684. by R. S. Bohacek, C. McMartin posted to thermo scissors pocket 1992 by higueruelo on 2009-08-12 13:43:30 as
	Computational design of affinity and specificity at protein–protein interfaces [My Copy] Current Opinion in Structural Biology, Vol. 19, No. 4. (29 August 2009), pp. 458-463. by John Karanicolas, Brian Kuhlman posted to 2009 computational interface ppi scissors thermo by higueruelo on 2009-08-10 14:33:09 as along with 4 people bmduggan sobolevnrm VGreiff barry
	Linking folding and binding [My Copy] Current Opinion in Structural Biology, Vol. 19, No. 1. (February 2009), pp. 31-38. by Peter E. Wright, H. Jane Dyson posted to 2009 disorder folding review thermo by higueruelo on 2009-07-28 12:15:55 as along with 3 people and 1 group chemrahul82 sobolevnrm flbarroso baker-group
	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
	Effective knowledge-based potentials. [My Copy] Protein science : a publication of the Protein Society, Vol. 18, No. 7. (July 2009), pp. 1469-1485. by E. Ferrada, F. Melo posted to 2009 buried-surface thermo by higueruelo on 2009-07-06 17:56:36 as
	The pKBHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 14. (23 July 2009), pp. 4073-4086. by Christian Laurence, Ken A. Brameld, Jérôme Graton, Jean-Yves Le Questel, Eric Renault posted to 2009 db hb thermo by higueruelo on 2009-07-03 11:59:05 as along with 2 people carlosjavierna sschurer
	Energetics of Protein Folding [My Copy] Journal of Molecular Biology, Vol. 371, No. 2. (10 August 2007), pp. 283-301. by Robert L. Baldwin posted to 2007 buried-surface folding scissors thermo by higueruelo on 2009-06-08 16:50:44 as along with 6 people melo_mcr flbarroso mijam yarikson choonpeng cat_worth
	The role of entropy and polarity in intermolecular contacts in protein crystals [My Copy] Acta Crystallographica Section D, Vol. 65, No. 5. (May 2009), pp. 500-509. by M. Cieslik, Z. S. Derewenda posted to 2009 buried-surface thermo by higueruelo on 2009-06-08 16:49:58 as along with 1 person carlosjavierna
	Fast predictions of thermodynamics and kinetics of protein-protein recognition from structures: from molecular design to systems biology [My Copy] Mol. BioSyst., Vol. 5, No. 4. (2009), pp. 323-334. by Daniele Dell'orco posted to 2009 ppi systemsbio thermo by higueruelo on 2009-04-30 14:41:40 as along with 2 people ssgong flbarroso
	Thermodynamic and structural investigation of bi-specificity in protein-protein interactions [My Copy] Journal of Molecular Biology (08 April 2009) by Huaying Zhao, Saranga Naganathan, Dorothy Beckett posted to 2009 dimer hotspots ppi thermo by higueruelo on 2009-04-17 12:24:51 as along with 2 people zwang paulschlesinger
	Reverse hydrophobic effects relieved by amino-acid substitutions at a protein surface. [My Copy] Nature, Vol. 344, No. 6264. (22 March 1990), pp. 363-364. by A. A. Pakula, R. T. Sauer posted to 1990 buried-surface thermo by higueruelo on 2009-03-18 11:14:41 as
	Revisiting "Reverse hydrophobic effect": Applicable only to coil mutations at the surface. [My Copy] Biopolymers (12 March 2009) by M Michael M. Gromiha posted to 2009 buried-surface thermo by higueruelo on 2009-03-18 11:06:34 as
	Molecular basis of co-operativity in protein folding. III. Structural identification of cooperative folding units and folding intermediates. [My Copy] Journal of molecular biology, Vol. 227, No. 1. (5 September 1992), pp. 293-306. by K. P. Murphy, V. Bhakuni, D. Xie, E. Freire posted to asa 1992 folding thermo by higueruelo on 2009-03-08 12:17:48 as
	The nature of the accessible and buried surfaces in proteins. [My Copy] J Mol Biol, Vol. 105, No. 1. (25 July 1976), pp. 1-12. by C. Chothia posted to 1976 asa folding thermo by higueruelo on 2009-03-08 12:16:24 as along with 1 person dfgreen
	Protein Structure and the Energetics of Protein Stability [My Copy] Chemical Reviews, Vol. 97, No. 5. (1997), pp. 1251-1268. by Andrew D. Robertson, Kenneth P. Murphy posted to 1997 prot-struct thermo by higueruelo on 2009-03-06 09:31:12 as
	Energetic determinants of protein binding specificity: Insights into protein interaction networks. [My Copy] Proteomics (27 February 2009) by Pablo Carbonell, Ruth Nussinov, Antonio Del Sol posted to 2009 hotspots inteface thermo by higueruelo on 2009-03-03 13:22:37 as along with 1 person pablocarb
	Principal determinants leading to transition state formation of a protein-protein complex, orientation trumps side-chain interactions. [My Copy] Proceedings of the National Academy of Sciences of the United States of America (5 February 2009) by James R R. Horn, Tobin R R. Sosnick, Anthony A A. Kossiakoff posted to 2009 hotspots interface ppi thermo ts by higueruelo on 2009-02-10 09:40:36 as along with 2 people and 2 groups amishp barry structural_bioinformatics McCammon
	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
	Exploring the Molecular Design of Protein Interaction Sites with Molecular Dynamics Simulations and Free Energy Calculations (dagger). [My Copy] Biochemistry (29 December 2008) by Shide Liang, Liwei Li, Wei-Lun L. Hsu, et al.Meaghan N N. Pilcher, Vladimir Uversky, Yaoqi Zhou, A Keith K. Dunker, Samy O O. Meroueh posted to 2009 hotspots ppdocking ppi thermo by higueruelo on 2009-01-19 12:08:53 as along with 2 people flbarroso sjcockell
	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
	Development and validation of an empirical free energy function for calculating protein–protein binding free energy surfaces [My Copy] Biophysical Chemistry (08 November 2008) by J. Audie posted to 2008 interface ppi thermo by higueruelo on 2008-12-02 13:06:21 as
	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
	Update of KDBI: Kinetic Data of Bio-molecular Interaction database [My Copy] Nucl. Acids Res., Vol. 37, No. suppl_1. (1 January 2009), pp. D636-641. by Pankaj Kumar, B. C. Han, Z. Shi, et al.J. Jia, Y. P. Wang, Y. T. Zhang, L. Liang, Q. F. Liu, Z. L. Ji, Y. Z. Chen posted to 2008 db kdbi kinetics thermo by higueruelo on 2008-11-04 16:26:33 as along with 3 people Vincent_Rouilly lptolik guhjy
	Protein-protein recognition and interaction hot spots in an antigen-antibody complex: free energy decomposition identifies "efficient amino acids". [My Copy] Proteins, Vol. 67, No. 2. (1 May 2007), pp. 418-434. by Virginie Lafont, Michael Schaefer, Roland H. Stote, Danièle Altschuh, Annick Dejaegere posted to 2007 ab hotspots le ppi thermo by higueruelo on 2008-07-18 11:22:41 as along with 2 people flbarroso jteyra
	Applications of isothermal titration calorimetry in protein science. [My Copy] Acta biochimica et biophysica Sinica, Vol. 40, No. 7. (July 2008), pp. 565-576. by Y. Liang posted to 2008 itc review thermo by higueruelo on 2008-07-09 13:31:21 as along with 1 person guhjy
	(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
	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
	Allostery: Absence of a Change in Shape Does Not Imply that Allostery Is Not at Play. [My Copy] J Mol Biol (29 February 2008) by Chung-Jung J. Tsai, Antonio Del Sol, Ruth Nussinov posted to 2008 allosteric thermo xf by higueruelo on 2008-03-26 10:27:31 as along with 7 people and 3 groups pablocarb barry choonpeng cactus sobolevnrm CameronNeylon cchang structural_bioinformatics McCammon Chang group
	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

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higueruelo's thermo [33 articles] Export

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