📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Insight from atomistic molecular dynamics simulations into the supramolecular assembly of the aldo-keto reductase from Trypanosoma cruzi. (2024)

First Author: Trujillo P

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/10.1007/s00894-024-06153-2

PubMed Identifier: 39316137

Publication URI: http://europepmc.org/abstract/MED/39316137

Type: Journal Article/Review

Volume: 30

Parent Publication: Journal of molecular modeling

Issue: 10

ISSN: 0948-5023