Fluctuation Relations to Calculate Protein Redox Potentials from Molecular Dynamics Simulations (2023)
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.3c00785
PubMed Identifier: 38150288
Publication URI: http://europepmc.org/abstract/MED/38150288
Type: Journal Article/Review
Parent Publication: Journal of Chemical Theory and Computation
Issue: 1