71
TITLE: Mechanistic Pathway on Human alpha-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations
AUTHORS: Bras, NF ; Santos Martins, D; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 122, ISSUE: 14
INDEXED IN: Scopus WOS CrossRef: 23
IN MY: ORCID
75
TITLE: Modulation of lateral and longitudinal interdimeric interactions in microtubule models by Laulimalide and Peloruside A association: A molecular modeling approach on the mechanism of microtubule stabilizing agents  Full Text
AUTHORS: Matias A Zuniga; Joel B Alderete; Gonzalo A Jana; Pedro A Fernandez; Maria J Ramos ; Veronica A Jimenez;
PUBLISHED: 2018, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 91, ISSUE: 5
INDEXED IN: WOS
IN MY: ORCID
76
TITLE: Modulation of lateral and longitudinal interdimeric interactions in microtubule models by Laulimalide and Peloruside A association: A molecular modeling approach on the mechanism of microtubule stabilizing agents  Full Text
AUTHORS: Matías A Zúñiga; Joel B Alderete; Gonzalo A Jaña; Pedro A Fernandez; Maria J Ramos ; Verónica A Jiménez;
PUBLISHED: 2018, SOURCE: Chemical Biology & Drug Design, VOLUME: 91, ISSUE: 5
INDEXED IN: CrossRef: 7
IN MY: ORCID
77
TITLE: molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software. A VMD Plugin to Handle QM and ONIOM Calculations
AUTHORS: Fernandes, HS ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2018, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 39, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
78
TITLE: Parametrization of Molybdenum Cofactors for the AMBER Force Field  Full Text
AUTHORS: Pedro Ferreira; Nuno M F S A Cerqueira ; Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2018, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 14, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 8
IN MY: ORCID
79
TITLE: Properties that rank protein: protein docking poses with high accuracy  Full Text
AUTHORS: Simoes, ICM; Coimbra, JTS ; Neves, Rui P. P. ; Costa, IPD; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 32
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
80
TITLE: Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation  Full Text
AUTHORS: Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: CHEMPHYSCHEM, VOLUME: 19, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 18
IN MY: ORCID
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