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TITLE: How the Destabilization of a Reaction Intermediate Affects Enzymatic Efficiency: The Case of Human Transketolase
AUTHORS: Prejano, M; Medina, FE; Ramos, MJ ; Russo, N; Fernandes, PA ; Marino, T;
PUBLISHED: 2020, SOURCE: ACS CATALYSIS, VOLUME: 10, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 16
3
TITLE: The Catalytic Mechanism of Human Transketolase  Full Text
AUTHORS: Prejano, M; Medina, FE; Fernandes, PA ; Russo, N; Ramos, MJ ; Marino, T;
PUBLISHED: 2019, SOURCE: CHEMPHYSCHEM, VOLUME: 20, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 11
4
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;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 11, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 30
5
TITLE: New insights in the catalytic mechanism of tyrosine ammonia-lyase given by QM/MM and QM cluster models  Full Text
AUTHORS: Gaspar P Pinto; Antonio J M Ribeiro ; Maria J Ramos ; Pedro A Fernandes ; Marirosa Toscano; Nino Russo;
PUBLISHED: 2015, SOURCE: ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS, VOLUME: 582
INDEXED IN: Scopus WOS CrossRef: 20
6
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 ;
PUBLISHED: 2015, SOURCE: ACS CATALYSIS, VOLUME: 5, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 66
7
TITLE: Molecular Dynamics Analysis of FAAH Complexed with Anandamide
AUTHORS: Sérgio F. Sousa ; Coimbra, JTS ; Fernandes, PA ; Marino, T; Ramos, MJ ; Russo, N;
PUBLISHED: 2015, 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
INDEXED IN: Scopus WOS CrossRef
9
TITLE: The Catalytic Mechanism of Protein Phosphatase 5 Established by DFT Calculations  Full Text
AUTHORS: Antonio J M Ribeiro ; Marta E Alberto; Maria J Ramos ; Pedro A Fernandes ; Nino Russo;
PUBLISHED: 2013, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 19, ISSUE: 42
INDEXED IN: Scopus WOS CrossRef: 44
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TITLE: Gas-Phase Reactions of the Bare Th2+ and U2+ Ions with Small Alkanes, CH4, C2H6, and C3H8: Experimental and Theoretical Study of Elementary Organoactinide Chemistry  Full Text
AUTHORS: Emanuela Di Santo; Marta Santos; Maria C Michelini; Joaquin Marcalo ; Nino Russo; John K Gibson;
PUBLISHED: 2011, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 133, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
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