Free energy along drug-protein binding pathways interactively sampled in virtual reality (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/10.48550/arxiv.2311.17925
Publication URI: https://arxiv.org/abs/2311.17925
Type: Other