Dynamical aspects of molecular recognition Introduction

被引：15

作者：

Karplus, Martin ^{[1
,2
]}

机构：

[1] Harvard Univ, Dept Chem & Biol Chem, Cambridge, MA 02138 USA

[2] ISIS Univ Strasbourg, Lab Chim Biophys, F-67000 Strasbourg, France

来源：

JOURNAL OF MOLECULAR RECOGNITION | 2010年 / 23卷 / 02期

关键词：

BINDING FREE-ENERGIES;

D O I：

10.1002/jmr.1018

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

[No abstract available]

引用

页码：102 / 104

页数：3

共 17 条

[1] Absolute binding free energies: A quantitative approach for their calculation [J].

Boresch, S ;

Tettinger, F ;

Leitgeb, M ;

Karplus, M .

JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (35) :9535-9551

[2] Calculation of Free-Energy Differences by Confinement Simulations. Application to Peptide Conformers [J].

Cecchini, M. ;

Krivov, S. V. ;

Spichty, M. ;

Karplus, M. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (29) :9728-9740

[3]

Dobson CM, 1998, ANGEW CHEM INT EDIT, V37, P868, DOI 10.1002/(SICI)1521-3773(19980420)37:7<868::AID-ANIE868>3.0.CO

[4]

2-H

[5] HIDDEN THERMODYNAMICS OF MUTANT PROTEINS - A MOLECULAR-DYNAMICS ANALYSIS [J].

GAO, J ;

KUCZERA, K ;

TIDOR, B ;

KARPLUS, M .

SCIENCE, 1989, 244 (4908) :1069-1072

[6] The statistical-thermodynamic basis for computation of binding affinities: A critical review [J].

Gilson, MK ;

Given, JA ;

Bush, BL ;

McCammon, JA .

BIOPHYSICAL JOURNAL, 1997, 72 (03) :1047-1069

[7] Inclusion of loss of translational and rotational freedom in theoretical estimates of free energies of binding. Application to a complex of benzene and mutant T4 lysozyme [J].

Hermans, J ;

Wang, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (11) :2707-2714

[8] MONTE-CARLO SIMULATION OF DIFFERENCES IN FREE-ENERGIES OF HYDRATION [J].

JORGENSEN, WL ;

RAVIMOHAN, C .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :3050-3054

[9]

KARPLUS M, 1986, DESIGN SYNTHESIS ORG, P81

[10]

KARPLUS M, 2009, NOBEL S, V138

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