António Manuel Simões Carrão Albuquerque Baptista


AuthID: R-000-2BR

Confirmed Publications: 70



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TITLE: Comment on "Explicit-solvent molecular dynamics simulation at constant pH: Methodology and application to small amines"  Full Text
AUTHORS: Baptista, AM ;
PUBLISHED: 2002, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 116, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
53
TITLE: Constant-pH molecular dynamics using stochastic titration  Full Text
AUTHORS: Baptista, AM ; Teixeira, VH; Soares, CM ;
PUBLISHED: 2002, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 117, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef
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54
TITLE: Studies of the reduction and protonation behavior of tetraheme cytochromes using atomic detail  Full Text
AUTHORS: Teixeira, VH; Soares, CM ; Baptista, AM ;
PUBLISHED: 2002, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 7, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
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TITLE: Implicit solvation in the self-consistent mean field theory method: sidechain modelling and prediction of folding free energies of protein mutants
AUTHORS: Joaquim Mendes ; Baptista, AM ; Carrondo, MA ; Soares, CM ;
PUBLISHED: 2001, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 15, ISSUE: 8
INDEXED IN: Scopus WOS DBLP CrossRef: 15
IN MY: ORCID
57
TITLE: Some theoretical and computational aspects of the inclusion of proton isomerism in the protonation equilibrium of proteins
AUTHORS: Baptista, AM ; Soares, CM ;
PUBLISHED: 2001, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 105, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
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TITLE: Comparative redox and pKa calculations on cytochrome c3 from several Desulfovibrio species using continuum electrostatic methods  Full Text
AUTHORS: Martel, PJ; Soares, CM ; Baptista, AM ; Fuxreiter, M; Naray Szabo, G; Louro, RO ; Carrondo, MA ;
PUBLISHED: 1999, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 4, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 35
IN MY: ORCID | ResearcherID
59
TITLE: Improved modeling of side-chains in proteins with rotamer-based methods: A flexible rotamer model  Full Text
AUTHORS: Mendes, J; Baptista, AM ; Carrondo, MA ; Soares, CM ;
PUBLISHED: 1999, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 37, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
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