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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
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  Data: Mechanism of Polyester Hydrolysis by Marine Bacterium PE-H Enzyme: an Atomistic and Thermodynamic Characterization.
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  Data: <searchLink fieldCode="AU" term="%22Nassir+S%22">Nassir S</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Paiva+P%22">Paiva P</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Neves+RPP%22">Neves RPP</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Fernandes+PA%22">Fernandes PA</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22El+Allali+A%22">El Allali A</searchLink>; Bioinformatics Laboratory, College of Computing, University Mohammed VI Polytechnic, Lot 660, Hay Moulay Rachid, Ben Guerir 43150, Morocco.<br /><searchLink fieldCode="AU" term="%22Ramos+MJ%22">Ramos MJ</searchLink>; 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.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2026 Feb 23; Vol. 66 (4), pp. 2284-2298. <i>Date of Electronic Publication: </i>2026 Feb 12.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.5c02314
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              Text: 2026 Feb 23
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