Predicting free energy changes using structural ensembles

被引：184

作者：

Benedix, Alexander ^{[1
]}

Becker, Caroline M. ^{[1
]}

de Groot, Bert L. ^{[2
]}

Caflisch, Amedeo ^{[3
]}

Boeckmann, Rainer A. ^{[1
]}

机构：

[1] Univ Saarland, Ctr Bioinformat, D-66041 Saarbrucken, Germany

[2] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany

[3] Univ Zurich, Dept Biochem, CH-8057 Zurich, Switzerland

来源：

NATURE METHODS | 2009年 / 6卷 / 01期

关键词：

PROTEIN COMPLEXES; STABILITY; SOLVENT;

D O I：

10.1038/nmeth0109-3

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：3 / 4

页数：2

共 9 条

[1] NEW METHOD FOR PREDICTING BINDING-AFFINITY IN COMPUTER-AIDED DRUG DESIGN [J].

AQVIST, J ;

MEDINA, C ;

SAMUELSSON, JE .

PROTEIN ENGINEERING, 1994, 7 (03) :385-391

[2]

deGroot BL, 1997, PROTEINS, V29, P240, DOI 10.1002/(SICI)1097-0134(199710)29:2<240::AID-PROT11>3.0.CO

[3]

2-O

[4] Predicting changes in the stability of proteins and protein complexes: A study of more than 1000 mutations [J].

Guerois, R ;

Nielsen, JE ;

Serrano, L .

JOURNAL OF MOLECULAR BIOLOGY, 2002, 320 (02) :369-387

[5] A simple physical model for binding energy hot spots in protein-protein complexes [J].

Kortemme, T ;

Baker, D .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (22) :14116-14121

[6] The modular architecture of protein-protein binding interfaces [J].

Reichmann, D ;

Rahat, O ;

Albeck, S ;

Meged, R ;

Dym, O ;

Schreiber, G .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (01) :57-62

[7] ACCURATE CALCULATION OF HYDRATION FREE-ENERGIES USING MACROSCOPIC SOLVENT MODELS [J].

SITKOFF, D ;

SHARP, KA ;

HONIG, B .

JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (07) :1978-1988

[8] Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate - DNA helices [J].

Srinivasan, J ;

Cheatham, TE ;

Cieplak, P ;

Kollman, PA ;

Case, DA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (37) :9401-9409

[9] Eris: an automated estimator of protein stability [J].

Yin, Shuangye ;

Ding, Feng ;

Dokholyan, Nikolay V. .

NATURE METHODS, 2007, 4 (06) :466-467

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