21
TITLE: Benchmarking of density functionals for the kinetics and thermodynamics of the hydrolysis of glycosidic bonds catalyzed by glycosidases. PEREIRA et al.  Full Text
AUTHORS: Pereira, AT; Ribeiro, AJM ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 117, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 47
22
TITLE: Binding free energy calculations on E-selectin complexes with sLe(x) oligosaccharide analogs  Full Text
AUTHORS: Barra, PA; Ribeiro, AJM ; Ramos, MJ ; Jimenez, VA; Alderete, JB; Fernandes, PA ;
PUBLISHED: 2017, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 89, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 7
23
TITLE: cuRRBS: simple and robust evaluation of enzyme combinations for reduced representation approaches  Full Text
AUTHORS: Martin Herranz, DE; Ribeiro, AJM ; Krueger, F; Thornton, JM; Reik, W; Stubbs, TM;
PUBLISHED: 2017, SOURCE: NUCLEIC ACIDS RESEARCH, VOLUME: 45, ISSUE: 20
INDEXED IN: WOS CrossRef: 11
24
TITLE: Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites  Full Text
AUTHORS: António J M Ribeiro ; Gemma L Holliday; Nicholas Furnham; Jonathan D Tyzack; Katherine Ferris; Janet M Thornton;
PUBLISHED: 2017, SOURCE: Nucleic Acids Research, VOLUME: 46, ISSUE: D1
INDEXED IN: CrossRef: 143
25
TITLE: Unique Triphenylphosphonium Derivatives for Enhanced Mitochondrial Uptake and Photodynamic Therapy  Full Text
AUTHORS: Hu, Z; Sim, Y; Kon, OL; Ng, WH; Ribeiro, AJM ; Ramos, MJ ; Fernandes, PA ; Ganguly, R; Xing, BG; Garcia, F; Yeow, EKL;
PUBLISHED: 2017, SOURCE: BIOCONJUGATE CHEMISTRY, VOLUME: 28, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 53
27
TITLE: Improving the Biodesulfurization of Crude Oil and Derivatives: A QM/MM Investigation of the Catalytic Mechanism of NADH-FMN Oxidoreductase (DszD)
AUTHORS: Sérgio F. Sousa ; Joana F M Sousa; Ana C C Barbosa; Cleide E Ferreira; Neves, Rui P. P. ; Antonio J M Ribeiro ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2016, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 120, ISSUE: 27
INDEXED IN: Scopus WOS CrossRef: 28
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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;
PUBLISHED: 2015, SOURCE: ACS CATALYSIS, VOLUME: 5, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 30
30
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: 25
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