Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approach

Journal of Chemical Physics

Volumn 130, Issue 10, 2009, Pages

  Curuksu, Jeremy ^a   Zacharias, Martin ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; DYNAMICS; HAMILTONIANS; MOLECULAR DYNAMICS; MOLECULES; NUCLEIC ACIDS; RADAR ANTENNAS;

ACID MOLECULES; COMPUTATIONAL DEMANDS; CONFORMATIONAL STATE; CONFORMATIONAL SUBSTATES; DIHEDRAL ANGLES; DINUCLEOTIDE; EXPLICIT SOLVENTS; FINE STRUCTURES; FLEXIBLE MOLECULES; MD SIMULATIONS; MOLECULAR-DYNAMICS SIMULATIONS; REALISTIC CONDITIONS; REPLICA EXCHANGE MOLECULAR DYNAMICS; SIMULATION TIME; SYSTEM SIZES;

CONFORMATIONS;

ADENINE NUCLEOTIDE; NUCLEIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; QUANTUM THEORY;

ADENINE NUCLEOTIDES; COMPUTER SIMULATION; MODELS, MOLECULAR; NUCLEIC ACID CONFORMATION; NUCLEIC ACIDS; QUANTUM THEORY;

EID: 62549119551     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3086832     Document Type: Article

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