Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1.
- DOI
- 10.1021/acs.jctc.6c01377
- Published
- 2026 Oct 13
- Container
- Journal of chemical theory and computation
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.6c01377,
title = {Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1.},
author = {Dawson W and Beal L and Zaccaria M and Genovese L},
year = {2026},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.6c01377},
url = {https://doi.org/10.1021/acs.jctc.6c01377}
}RIS
TY - JOUR TI - Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1. AU - Dawson W AU - Beal L AU - Zaccaria M AU - Genovese L PY - 2026 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.6c01377 UR - https://doi.org/10.1021/acs.jctc.6c01377 ER -
APA
W, D., L, B., M, Z., & L, G. (2026). Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01377
Source records
- pubmed · retrieved 2026-11-10T20:07:11.891Z