Mechanism of Polyester Hydrolysis by Marine Bacterium PE-H Enzyme: an Atomistic and Thermodynamic Characterization.

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Title: Mechanism of Polyester Hydrolysis by Marine Bacterium PE-H Enzyme: an Atomistic and Thermodynamic Characterization.
Authors: Nassir S; Associated Laboratory for Green Chemistry (LAQV)/Network of Chemistry and Technology (REQUIMTE), Departamento de Química e Bioquímica, Faculdade de Ciências Universidade Do Porto, Rua Do Campo Alegre, s/n, Porto 4169-007, Portugal.; Bioinformatics Laboratory, College of Computing, University Mohammed VI Polytechnic, Lot 660, Hay Moulay Rachid, Ben Guerir 43150, Morocco., Paiva P; Associated Laboratory for Green Chemistry (LAQV)/Network of Chemistry and Technology (REQUIMTE), Departamento de Química e Bioquímica, Faculdade de Ciências Universidade Do Porto, Rua Do Campo Alegre, s/n, Porto 4169-007, Portugal., Neves RPP; Associated Laboratory for Green Chemistry (LAQV)/Network of Chemistry and Technology (REQUIMTE), Departamento de Química e Bioquímica, Faculdade de Ciências Universidade Do Porto, Rua Do Campo Alegre, s/n, Porto 4169-007, Portugal., Fernandes PA; Associated Laboratory for Green Chemistry (LAQV)/Network of Chemistry and Technology (REQUIMTE), Departamento de Química e Bioquímica, Faculdade de Ciências Universidade Do Porto, Rua Do Campo Alegre, s/n, Porto 4169-007, Portugal., El Allali A; Bioinformatics Laboratory, College of Computing, University Mohammed VI Polytechnic, Lot 660, Hay Moulay Rachid, Ben Guerir 43150, Morocco., Ramos MJ; Associated Laboratory for Green Chemistry (LAQV)/Network of Chemistry and Technology (REQUIMTE), Departamento de Química e Bioquímica, Faculdade de Ciências Universidade Do Porto, Rua Do Campo Alegre, s/n, Porto 4169-007, Portugal.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Feb 23; Vol. 66 (4), pp. 2284-2298. Date of Electronic Publication: 2026 Feb 12.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.5c02314