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      Effect of the Force Field on Molecular Dynamics Simulations of the Multidrug Efflux Protein P-Glycoprotein

      Author(s): 1 , 1
      Publication date (Electronic):
      Journal: Journal of Chemical Theory and Computation
      Publisher: American Chemical Society (ACS)

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            VMD: Visual molecular dynamics

            William Humphrey, Andrew Dalke, Klaus Schulten (1996)
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              GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

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                Author and article information

                Contributors
                Journal
                Title: Journal of Chemical Theory and Computation
                Abbreviated Title: J. Chem. Theory Comput.
                Publisher: American Chemical Society (ACS)
                ISSN (Print): 1549-9618
                ISSN (Electronic): 1549-9626
                Publication date Created: October 12 2021
                Publication date (Electronic): September 10 2021
                Publication date (Print): October 12 2021
                Volume: 17
                Issue: 10
                Pages: 6491-6508
                Affiliations
                [1 ]Research School of Chemistry, College of Science, Australian National University, Canberra, ACT 2601, Australia
                Article
                DOI: 10.1021/acs.jctc.1c00414
                PubMed ID: 34506133
                SO-VID: 1c411725-c181-4029-91c3-8f826e0f32e2
                Copyright © © 2021
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