Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems-Reference-Cited by-同舟云学术

Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems

Published:2022-02-09 Issue:4 Volume:62 Page:914-926
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bhakat Soumendranath¹²^ORCID,Söderhjelm Pär¹

Affiliation:

1. Division of Biophysical Chemistry, Center for Molecular Protein Science, Department of Chemistry, Lund University, P.O. Box 124, SE-22100 Lund, Sweden

2. Department of Biochemistry and Molecular Biophysics, Washington University, School of Medicine, St. Louis, Missouri 63110, United States

Funder

Vetenskapsr?det

Crafoordska Stiftelsen

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00840

Reference50 articles.

1. Flap Dynamics in Aspartic Proteases: A Computational Perspective

2. Explicit solvent dynamics and energetics of HIV-1 protease flap opening and closing

3. HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

4. Molecular Dynamics Simulations of Ligand-Induced Flap Conformational Changes in Cathepsin-D-A Comparative Study

5. Investigation of flap flexibility of β-secretase using molecular dynamic simulations

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