Identifying Free Energy Hot-Spots in Molecular Transformations.

Dietschreit, Johannes C B; Peters, Laurens D M; Kussmann, Jörg; Ochsenfeld, Christian.

Afiliação

Dietschreit JCB; Chair of Theoretical Chemistry, Department of Chemistry , University of Munich (LMU) , Butenandtstr. 7 , D-81377 München , Germany.
Peters LDM; Center for Integrated Protein Science (CIPSM) at the Department of Chemistry , University of Munich (LMU) , Butenandtstr. 5-13 , D-81377 München , Germany.
Kussmann J; Chair of Theoretical Chemistry, Department of Chemistry , University of Munich (LMU) , Butenandtstr. 7 , D-81377 München , Germany.
Ochsenfeld C; Center for Integrated Protein Science (CIPSM) at the Department of Chemistry , University of Munich (LMU) , Butenandtstr. 5-13 , D-81377 München , Germany.

J Phys Chem A ; 123(10): 2163-2170, 2019 Mar 14.

Article em En | MEDLINE | ID: mdl-30821451

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article