Exploring optimization strategies for improving explicit water models: Rigid n-point model and polarizable model based on Drude oscillator

• Yeyue Xiong,

  Roles Data curation, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft

  Affiliation Department of Biomedical Engineering and Mechanics, Virginia Tech, Blacksburg, VA, United States of America

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• Alexey V. Onufriev

  Roles Conceptualization, Methodology, Resources, Supervision, Writing – review & editing

  * E-mail: alexey@cs.vt.edu

  Affiliations Department of Physics, Virginia Tech, Blacksburg, VA, United States of America, Department of Computer Science, Virginia Tech, Blacksburg, VA, United States of America, Center for Soft Matter and Biological Physics, Virginia Tech, Blacksburg, VA, United States of America

  http://orcid.org/0000-0002-4930-6612

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