Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? a case study using hen lysozyme

Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? a case study using hen lysozyme

In protein simulation or structure refinement based on values of observable quantities measured in (aqueous) solution, solvent (water) molecules may be explicitly treated, omitted, or represented by a potential of mean-solvation-force term, depending on protein coordinates only, in the force field u...

書誌詳細
主要な著者:	Pechlaner, M, van Gunsteren, WF, Hansen, N, Smith, LJ
フォーマット:	Journal article
言語:	English
出版事項:	Springer 2022

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