Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands

Michael P O'Hagan, Susanta Haldar, Juan C Morales, Adrian J Mulholland, M C Galan

Research output: Contribution to journal › Article (Academic Journal) › peer-review

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Finished
CCP-BioSim: Biomolecular Simulation at the Life Sciences Interface
Mulholland, A. J.
1/07/15 → 30/04/21
Project: Research
Predicting drug-target binding kinetics through multiscale simulations
Mulholland, A. J.
1/05/15 → 30/04/19
Project: Research