Open AccessQuasiharmonic analysis of protein energy landscapes from pressure-temperature molecular dynamics simulations
Author(s) -
Jocelyn M. Rodgers,
Russell J. Hemley,
Toshiko Ichiye
Publication year - 2017
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5003823
Subject(s) - isobaric process , molecular dynamics , compressibility , thermodynamics , chemistry , isothermal process , atom (system on chip) , energy landscape , physics , computational chemistry , computer science , embedded system