Can the protonation state of histidine residues be determined from molecular dynamics simulations?

Computational and Theoretical Chemistry

Volumn 1000, Issue , 2012, Pages 75-84

  Uranga, Jon ^a   Mikulskis, Paulius ^a   Genheden, Samuel ^a   Ryde, Ulf ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

Dihedral distribution; Histidine protonation; Molecular dynamics simulations; Side chain rotation

Indexed keywords

EID: 84868683184     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.09.025     Document Type: Article

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