2
TITLE: Unveiling the Catalytic Mechanism of NADP(+)-Dependent Isocitrate Dehydrogenase with QM/MM Calculations
AUTHORS: Rui P P Neves; Pedro A Fernandes; Maria J Ramos ;
SOURCE: ACS CATALYSIS, VOLUME: 6, ISSUE: 1, PUBLISHED: 2016
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
4
TITLE: Dynamics of excited clusters of beta-alanine in the gas phase  Full Text
AUTHORS: Piekarski, DG; Ramos, MJ ; Diaz Tendero, S;
SOURCE: 29th International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC) in XXIX INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC, AND ATOMIC COLLISIONS (ICPEAC2015), PTS 1-12, VOLUME: 635, ISSUE: 3, PUBLISHED: 2015
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
5
TITLE: Enzymatic Flexibility and Reaction Rate: A QM/MM Study of HIV-1 Protease
AUTHORS: Antonio J M Ribeiro; Diogo Santos Martins; Nino Russo; Maria J Rarnos ; Pedro A Fernandes;
SOURCE: ACS CATALYSIS, VOLUME: 5, ISSUE: 9, PUBLISHED: 2015
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
6
TITLE: Establishing the Catalytic Mechanism of Human Pancreatic alpha-Amylase with QM/MM Methods  Full Text
AUTHORS: Gaspar P Pinto; Natercia F Bras; Marta A S Perez; Pedro A Fernandes ; Nino Russo; Maria J Ramos ; Marirosa Toscano;
SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 11, ISSUE: 6, PUBLISHED: 2015
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
7
TITLE: Insight into Enzymatic Nitrile Reduction: QM/MM Study of the Catalytic Mechanism of QueF Nitrile Reductase
AUTHORS: Antonio J M Ribeiro; Lifeng F Yang; Maria J Ramos ; Pedro A Fernandes ; Zhao Xun Liang; Hajime Hirao;
SOURCE: ACS CATALYSIS, VOLUME: 5, ISSUE: 6, PUBLISHED: 2015
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
8
TITLE: Insights into the structural determinants of substrate specificity and activity in mouse aldehyde oxidases  Full Text
AUTHORS: Nuno M F S A Cerqueira ; Catarina Coelho; Natercia F Bras; Pedro A Fernandes ; Enrico Garattini; Mineko Terao; Maria Joao Romao; Maria Joao Ramos ;
SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 20, ISSUE: 2, PUBLISHED: 2015
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
9
TITLE: Ligand based analysis on HMG-CoA reductase inhibitors  Full Text
AUTHORS: Hari Narayana H N Moorthy; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 140, PUBLISHED: 2015
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
10
TITLE: Molecular Dynamics Analysis of FAAH Complexed with Anandamide
AUTHORS: Sergio F Sousa; Joao T S Coimbra; Pedro A Fernandes; Tiziana Marino; Maria J Ramos ; Nino Russo;
SOURCE: 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP) in FRONTIERS IN QUANTUM METHODS AND APPLICATIONS IN CHEMISTRY AND PHYSICS, VOLUME: 29, PUBLISHED: 2015
INDEXED IN: WOS CrossRef
IN MY: ORCID
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