41
TITLE: A theoretical interpretation of the color of two classes of pyranoanthocyanins  Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 948, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
42
TITLE: Amino Acid Patterns around Disulfide Bonds  Full Text
AUTHORS: Jose R F Marques; Rute R da Fonseca; Brett Drury; Andre Melo ;
PUBLISHED: 2010, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 11, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 8
IN MY: ORCID
43
TITLE: Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional  Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 133, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 31
IN MY: ORCID
44
TITLE: Conformational characterization of disulfide bonds: A tool for protein classification  Full Text
AUTHORS: Jose Rui F Ferreira Marques; Rute R da Fonseca; Brett Drury; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF THEORETICAL BIOLOGY, VOLUME: 267, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 11
IN MY: ORCID
45
TITLE: Energy decomposition analysis of cis and trans isomers of 1,2-dihaloethylenes and 2-butene  Full Text
AUTHORS: Zenaida Sobral Mourao ; Andre Melo ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 8
IN MY: ORCID
46
TITLE: Quantum Semiempirical Energy Based (SEEB) Descriptors Performance with Benzamidine Inhibitors of Trypsin  Full Text
AUTHORS: Alexandre R F Carvalho ; Andre Melo ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 6-7
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
47
TITLE: The role of aromatic interactions in the structure and energetics of benzyl ketones  Full Text
AUTHORS: Carlos F R A C Lima ; Carlos A D Sousa; Jose E Rodriguez Borges ; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2010, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 12, ISSUE: 37
INDEXED IN: Scopus WOS CrossRef: 13
IN MY: ORCID
48
TITLE: Unusual Color Change of Vinylpyranoanthocyanin-Phenolic Pigments  Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 58, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
50
TITLE: Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition  Full Text
AUTHORS: Alexandre R F Carvalho ; Andre T Puga; Andre Melo ;
PUBLISHED: 2008, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 9, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
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