111
TITLE: Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins  Full Text
AUTHORS: Neves, Rui P. P. ; Sérgio F. Sousa ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 31
112
113
TITLE: Chemically Modified Tetracyclines as Inhibitors of MMP-2 Matrix Metalloproteinase: A Molecular and Structural Study
AUTHORS: Bruna L Marcial; Sérgio F. Sousa ; Ingrid L Barbosa; Helio F Dos Santos; Maria J Ramos ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 46
INDEXED IN: Scopus WOS CrossRef: 32
114
TITLE: Computational enzymatic catalysis - clarifying enzymatic mechanisms with the help of computers  Full Text
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2012, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 14, ISSUE: 36
INDEXED IN: Scopus WOS CrossRef: 47
115
TITLE: Decomplexation and complexation of alkali metal cations by a crown-ether-type podand in dichloromethane: a steered molecular dynamics study  Full Text
AUTHORS: Mario Valente; Sérgio F. Sousa ; Magalhaes, AL ; cristina freire ;
PUBLISHED: 2012, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 131, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 4
118
TITLE: Transfer of the K+ Cation Across a Water/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation Extraction
AUTHORS: Mario Valente; Sérgio F. Sousa ; Magalhaes, AL ; cristina freire ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 9
120
TITLE: Computational proteomics: from methodological developments to biological applications
AUTHORS: Irina S Moreira; Natercia F Bras ; Alexandra T P Carvalho; Nuno M F A Cerqueira; Daniel F Dourado; Marta A S Perez; Antonio J M Ribeiro; Sérgio F. Sousa ; Pedro A Fernandes; Maria J Ramos;
PUBLISHED: 2011, SOURCE: Quantal aspects in chemistry and physics: a tribute to the memory of Professor Couceiro da Costa
INDEXED IN: CrossRef
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