Coupling of conformational dynamics and inhibitor binding in the phosphodiesterase-5 family.

Tripathi, Shubhandra; Cote, Rick H; Vashisth, Harish

Tripathi, Shubhandra; Cote, Rick H; Vashisth, Harish.

Affiliation

Tripathi S; Department of Chemical Engineering, University of New Hampshire, Durham, New Hampshire, USA.
Cote RH; Department of Molecular, Cellular, and Biomedical Sciences, University of New Hampshire, Durham, New Hampshire, USA.
Vashisth H; Department of Chemical Engineering, University of New Hampshire, Durham, New Hampshire, USA.

Protein Sci ; 32(8): e4720, 2023 08.

Article in En | MEDLINE | ID: mdl-37407431

Subject(s)
Key words

conformational dynamics; inhibitor binding; molecular dynamics; phosphodiesterase; principal component analysis; replica exchange; structural transition; well-tempered metadynamics

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Cyclic GMP Language: En Journal: Protein Sci Journal subject: BIOQUIMICA Year: 2023 Document type: Article Affiliation country: Estados Unidos Country of publication: Estados Unidos

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