rbaron's library 13 articles Export

	Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin [My Copy] Proceedings of the National Academy of Sciences In Proceedings of the National Academy of Sciences, Vol. 106, No. 46. (17 November 2009), pp. 19346-19351. by Tomasz Wlodarski, Bojan Zagrovic posted to ubiquitin theory induced_fit conformational_selection conformational_changes binding_site binding_interactions averaging_problem by rbaron on 2009-12-03 23:40:55 as along with 2 people and 1 group okapi ahmetbakan McCammon
	The influence of drug-like concepts on decision-making in medicinal chemistry [My Copy] Nature Reviews Drug Discovery In Nat Rev Drug Discov, Vol. 6, No. 11. (01 November 2007), pp. 881-890. by Paul D. Leeson, Brian Springthorpe posted to toxicological oral_drugs medicinal_chemistry drug_discovery_and_development compounds by rbaron on 2009-12-03 23:38:14 as along with 3 people pslee higueruelo nicklynch
	Inclusion of ionization states of ligands in affinity calculations [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 76, No. 1. (2009), pp. 138-150. by Serena Donnini, Alessandra Villa, Gerrit Groenhof, Alan E. Mark, Rik K. Wierenga, André H. Juffer posted to ti thermodynamics technique receptor protein ligand ion free-energy computer chemistry binding affinity by rbaron on 2009-08-26 18:52:34 as along with 5 people and 2 groups flbarroso onufriev ibuch sobolevnrm RamuAnandakrishnan McCammon baker-group
	Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids [My Copy] posted to simulation protein molecular modeling coarse-grained by rbaron on 2009-08-24 23:41:58 as along with 1 group McCammon
	According to current textbooks, a well-defined three-dimensional structure is a prerequisite for the function of a protein. Is this correct? [My Copy] by H. Jane Dyson, Peter E. Wright posted to biology biophysics dynamics flexibility molecular structural by rbaron on 2009-06-30 04:19:21 as along with 1 group McCammon
	Analysis of ocean turbulence using adaptive CVE on altimetry maps [My Copy] Journal of Marine Systems (31 December 2008) by V. Nieves, A. Turiel posted to cve dynamics fluid formalism mmf ocean turbulence wavelets by rbaron on 2009-01-06 18:54:57 as
	Toward a Coarse-Grained Protein Model Coupled with a Coarse-Grained Solvent Model: Solvation Free Energies of Amino Acid Side Chains [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 11. (11 November 2008), pp. 1891-1901. by Wei Han, Cheuk-Kin Wan, Yun-Dong Wu posted to coarse-grained field force gromacs modeling parameter solvent thermodynamics water by rbaron on 2008-12-05 18:49:52 as along with 3 people sunrise agrossfield middledomain
	Estimating the configurational entropy from molecular dynamics simulations: anharmonicity and correlation corrections to the quasi-harmonic approximation [My Copy] Trends in Physical Chemistry, Vol. 11 (2006), pp. 87-122. by R. Baron, W. F. van Gunsteren, P. H. Hunenberger posted to analysis anharmonicity biophysics chemistry computer correlation entropy quasi-harmonic thermodynamics by rbaron on 2008-10-23 09:50:46 as
	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 binding docking drug dynamics flexibility ligand molecular receptor screening by rbaron on 2008-09-11 18:37:21 as along with 6 people and 2 groups karinaecomp oteri jmccammon higueruelo kazemi LamBras Structural Biology Group TorVergata McCammon
	Comparison of Thermodynamic Properties of Coarse-Grained and Atomic-Level Simulation Models. [My Copy] Chemphyschem, Vol. 8, No. 3. (8 February 2007), pp. 452-461. by Riccardo Baron, Daniel Trzesniak, Alex H H. de Vries, Andreas Elsener, Siewert J J. Marrink, Wilfred F F. van Gunsteren posted to coarse-grained dynamics entropy field fluid force gibbs gromos helmoltz hydrocarbons method modeling molecular multiscale reorganization solute solvent thermodynamics by rbaron on 2008-08-05 01:55:58 as along with 1 person choonpeng
	(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 binding dynamics entropy flexibility ligand method molecular protein quasi-harmonic receptor by rbaron on 2008-08-05 01:53:58 as along with 2 people and 1 group arlam higueruelo Chang group
	Tracking oceanic currents by singularity analysis of Microwave Sea Surface Temperature images [My Copy] Remote Sensing of Environment, Vol. In Press, Corrected Proof by Antonio Turiel, Jordi Sole, Veronica Nieves, Joaquim Ballabrera-Poy, Emilio Garcia-Ladona posted to dynamics formalism fractal images multi ocean satellite scale technique turbulence by rbaron on 2008-08-04 19:51:25 as along with 1 person andrewirwin
	Common turbulent signature in sea surface temperature and chlorophyll maps [My Copy] Geophysical Research Letters, Vol. 34 (1 December 2007), L23602. by V. Nieves, C. Llebot, A. Turiel, et al.J. Solé, E. García-Ladona, M. Estrada, D. Blasco posted to dynamics flow fluid fractal geophysical image multi ocean satellite scale technique turbulence by rbaron on 2008-08-04 19:48:47 as

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dynamics	7
molecular	5
thermodynamics	4
entropy	3
flexibility	3
receptor	3
ligand	3
binding	3
fluid	3
technique	3
turbulence	3
coarse-grained	3
ocean	3
modeling	3
protein	3
biophysics	2
method	2
multi	2
satellite	2
scale	2
fractal	2
field	2
solvent	2
chemistry	2
computer	2
force	2
formalism	2
quasi-harmonic	2
analysis	1
biology	1
gibbs	1
correlation	1
flow	1
induced_fit	1
conformational_changes	1
gromos	1
toxicological	1
drug	1
free-energy	1
screening	1
simulation	1
averaging_problem	1
compounds	1
ubiquitin	1
reorganization	1
drug_discovery_and_development	1
parameter	1
docking	1
water	1
medicinal_chemistry	1
structural	1
images	1
affinity	1
mmf	1
ion	1
image	1
oral_drugs	1
geophysical	1
anharmonicity	1
binding_site	1
hydrocarbons	1
multiscale	1
conformational_selection	1
binding_interactions	1
gromacs	1
helmoltz	1
ti	1
solute	1
theory	1
wavelets	1
cve	1

rbaron's library 13 articles Export

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