Open AccessIntegrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data
Author(s) -
Darren J. Hsu,
Denis Leshchev,
Irina Kosheleva,
Kevin L. Kohlstedt,
Lin X. Chen
Publication year - 2020
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 - 10.1063/5.0007158
Subject(s) - molecular dynamics , folding (dsp implementation) , protein folding , scattering , solvation , chemistry , chemical physics , biomolecule , biomolecular structure , statistical physics , physics , computational chemistry , protein structure , molecule , quantum mechanics , organic chemistry , biochemistry , electrical engineering , engineering