Generalized Born Implicit Solvent Models Do Not Reproduce Secondary Structures of De Novo Designed Glu/Lys Peptides. (2022)
Attributed to:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c01172
PubMed Identifier: 35687842
Publication URI: http://europepmc.org/abstract/MED/35687842
Type: Journal Article/Review
Volume: 18
Parent Publication: Journal of chemical theory and computation
Issue: 7
ISSN: 1549-9618