Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase

Journal of Molecular Biology

Volumn 306, Issue 2, 2001, Pages 307-327

  Archontis, Georgios ^a   Simonson, Thomas ^b   Karplus, Martin ^c,d  

^a UNIVERSITY OF CYPRUS   (Cyprus)

^b INSTITUT DE GÉNÉTIQUE ET DE BIOLOGIE MOLÉCULAIRE ET CELLULAIRE   (France)

^c UNIVERSITÉ DE STRASBOURG   (France)

^d HARVARD UNIVERSITY   (United States)

Author keywords

Aminoacyl tRNA synthetases; Dielectric continuum; Molecular recognition; Protein electrostatics; Protein engineering

Indexed keywords

ADENOSINE TRIPHOSPHATE; ASPARTAME; ASPARTATE TRANSFER RNA LIGASE; ASPARTIC ACID; LEUCINE;

ADENYLATION; ARTICLE; BINDING AFFINITY; CALCULATION; ENERGY; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; GENETIC CONSERVATION; GENETIC ENGINEERING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MOLECULAR STABILITY; MUTATION; PRIORITY JOURNAL;

EID: 0035895423     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.2000.4285     Document Type: Article

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