Work

Comparison of Functional Group Affinity Patterns from the Additive Versus Drude Polarizable Force Fields from the Site-Identification by Ligand Competitive Saturation (SILCS) Approach

Year: 2019

Type: article

Source: Biophysical Journal

DOI: 10.1016/j.bpj.2018.11.789

Authors: Himanshu Goel, Delin Sun Sun, Wenbo Yu, Alexander D. MacKerell

Institutions: University of Maryland, Baltimore, Lawrence Livermore National Laboratory

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: bronze

OpenAlex ID: W2914517076

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