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Academic Journal

End-to-end differentiable construction of molecular mechanics force fields.

Authors : Wang Y; Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center New York 10065 NY USA .; Physiology, Biophysics and System Biology PhD Program, Weill Cornell Medical College, Cornell University New York 10065 NY USA.

Source: Chemical science [Chem Sci] 2022 Sep 08; Vol. 13 (41), pp. 12016-12033. Date of Electronic Publication: 2022 Sep 08 (Print Publication: 2022).Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: eCollection Cited

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