OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2015 · Journal of Chemical Theory and Computation · 3,049 citations
https://doi.org/10.1021/acs.jctc.5b00864
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Chuanjie Wu
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Chuanjie Wu is an academic researcher from Schrodinger (United States). The author has contributed to research in topics: Protein Structure and Dynamics & Computational Drug Discovery Methods & Crystallography and molecular interactions. The author has an h-index of 17, co-authored 24 publications.
Papers by this author
worksOPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
2021 · Journal of Chemical Theory and Computation · 1,755 citations
https://doi.org/10.1021/acs.jctc.1c00302
Accurate Force Field Development for Modeling Conjugated Polymers
2012 · Journal of Chemical Theory and Computation · 135 citations
https://doi.org/10.1021/ct300175w
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
2025 · Nature Communications · 15 citations
https://doi.org/10.1038/s41467-025-57479-1
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