401
TITLE: Theoretical study of the amino acid interactions in the binding region of the trypsin-pancreatic trypsin inhibitor complex  Full Text
AUTHORS: Melo, A ; Ramos, MJ ;
PUBLISHED: 2002, SOURCE: 26th International Congress of Theoretical Chemists of Latin Expression in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 580, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 2
IN MY: ORCID
402
TITLE: Modelling enzyme - Ligand interactions
AUTHORS: Ramos, MJ ; Melo, A ; Henriques, ES;
PUBLISHED: 2001, SOURCE: Theoretical and Computational Chemistry, VOLUME: 9
INDEXED IN: Scopus
IN MY: ORCID
403
TITLE: The search for a new model structure of beta-Factor XIIa  Full Text
AUTHORS: Henriques, ES; Floriano, WB; Reuter, N; Melo, A ; Brown, D; Gomes, JANF ; Maigret, B; Nascimento, MAC; Ramos, MJ ;
PUBLISHED: 2001, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 15, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
404
TITLE: Byte structure variable length coding (BS-VLC): A new specific algorithm applied in the compression of trajectories generated by molecular dynamics
AUTHORS: Melo, A ; Puga, AT; Gentil, F ; Brito, N; Alves, AP; Ramos, MJ ;
PUBLISHED: 2000, SOURCE: 14th Dubrovnik International Course and Conference on the Interfaces among Mathematics, Chemistry, and Computer Sciences (MCC) in JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, VOLUME: 40, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 2
IN MY: ORCID
405
TITLE: Hybrid QM/MM study of a fundamental biological interaction surrounded by its protein environment
AUTHORS: Magalhaes, AL ; Maigret, B; Gomes, JANF ; Ramos, MJ ;
PUBLISHED: 2000, SOURCE: INTERNET JOURNAL OF CHEMISTRY, VOLUME: 3, ISSUE: 9-11
INDEXED IN: WOS
IN MY: ORCID
407
TITLE: A new partitioning scheme for molecular interacting systems within a multiconfigurational or monoconfigurational Hartree-Fock formalism  Full Text
AUTHORS: Melo, A ; Ramos, MJ ;
PUBLISHED: 1999, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 72, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
408
TITLE: Computational approaches to the study of some lanthanide (III) - Polyazamacrocyclic chelates for magnetic resonance imaging  Full Text
AUTHORS: Henriques, ES; Bastos, Margarida ; Geraldes, CFGC ; Ramos, MJ ;
PUBLISHED: 1999, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 73, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
409
TITLE: Modeling enzyme-inhibitor interactions in serine proteases  Full Text
AUTHORS: Ramos, MJ ; Melo, A ; Henriques, ES; Gomes, JANF ; Reuter, N; Maigret, B; Floriano, WB; Nascimento, MAC;
PUBLISHED: 1999, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 74, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 16
IN MY: ORCID
410
TITLE: Theoretical study of arginine-carboxylate interactions  Full Text
AUTHORS: Melo, A ; Ramos, MJ ; Floriano, WB; Gomes, JANF ; Leao, JFR; Magalhaes, AL ; Maigret, B; Nascimento, MC; Reuter, N;
PUBLISHED: 1999, SOURCE: 2nd European Conference on Computational Chemistry (EUCO-CC2) in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 463, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 33
IN MY: ORCID
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