A meshless discretization method for Markov state models applied to explicit water peptide folding simulations

Lecture Notes in Computational Science and Engineering

Volumn 89 LNCSE, Issue , 2013, Pages 141-154

  Fackeldey, Konstantin ^a   Bujotzek, Alexander ^a   Weber, Marcus ^a  

^a ZUSE INSTITUTE BERLIN   (Germany)

Author keywords

Conformation dynamics; Markovianity; Molecular dynamics; Partition of unity; Robust perron cluster analysis; Transfer operator

Indexed keywords

CONFORMATION DYNAMICS; MARKOVIANITY; PARTITION OF UNITY; PERRON CLUSTER ANALYSIS; TRANSFER OPERATOR;

CLUSTER ANALYSIS; DISCRETE EVENT SIMULATION; PARTIAL DIFFERENTIAL EQUATIONS; PEPTIDES;

MOLECULAR DYNAMICS;

EID: 84872348938     PISSN: 14397358     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-3-642-32979-1_9     Document Type: Conference Paper

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