101
TITLE: Influence of Frozen Residues on the Exploration of the PES of Enzyme Reaction Mechanisms  Full Text
AUTHORS: Ana R Calixto ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2017, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 13, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 28
IN MY: ORCID
102
TITLE: Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase
AUTHORS: Neves, Rui P. P. ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, VOLUME: 114, ISSUE: 24
INDEXED IN: Scopus WOS CrossRef: 48
IN MY: ORCID
103
TITLE: Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2
AUTHORS: Merski, M; Moreira, C; Abreu, RMV; Ramos, MJ ; Fernandes, PA ; Martins, LM; Pereira, PJB; Macedo Ribeiro, S;
PUBLISHED: 2017, SOURCE: CELL DEATH & DISEASE, VOLUME: 8, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
104
TITLE: New Parameters for Higher Accuracy in the Computation of Binding Free Energy Differences upon Alanine Scanning Mutagenesis on Protein-Protein Interfaces  Full Text
AUTHORS: Ines C M Simoes; Ines P D Costa; Joao T S Coimbra ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2017, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 57, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 45
IN MY: ORCID
105
TITLE: Revisiting Partition in Hydrated Bilayer Systems  Full Text
AUTHORS: Joao T S Coimbra ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2017, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 13, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 13
IN MY: ORCID
106
TITLE: The Catalytic Mechanism of the Pyridoxal-5 '-phosphate-Dependent Enzyme, Histidine Decarboxylase: A Computational Study
AUTHORS: Fernandes, HS ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2017, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 23, ISSUE: 38
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
107
TITLE: The mechanism of the Ser-(cis)Ser-Lys catalytic triad of peptide amidases  Full Text
AUTHORS: Cerqueira, NMFSA ; Moorthy, H; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 17
IN MY: ORCID
108
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: 43
IN MY: ORCID
110
TITLE: Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas  Full Text
AUTHORS: Santos Martins, D; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2016, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 30, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
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