Publications

Modelling enzyme - Ligand interactions

Ramos, MJ (Author) (FCUP); Melo, A (Author) (FCUP); Henriques, ES (Author) (Other)

2001

A new partitioning scheme for molecular interacting systems within a multiconfigurational or monoconfigurational Hartree-Fock formalism

Melo, A (Author) (FCUP); Ramos, MJ (Author) (FCUP)

1999

Natural inhibitors of proteases - pharmacological target for destabilization/stabilization of the protease/inhibitor complex

Other Publications

Carvalho, A (Author) (Other); Melo, A (Author) (FCUP)

2004

Dynamical rearrangement of human epidermal growth factor receptor 2 upon antibody binding: effects on the dimerization

Magalhães, PR (Author) (Other); Machuqueiro, M (Author) (Other); Almeida, JG (Author) (Other); Andre Melo (Author) (FCUP); Cordeiro, MNDS (Author) (Other); Verde, SC (Author) (Other); Gümü¿, ZH (Author) (Other); Moreira, IS (Author) (Other); Correia, JDG (Author) (Other); Melo, R (Author) (Other)

2019

Summary of Presentation in an International Conference

Vanadyl(IV) Acetylacetonate Interactions with Terc-Butylhydroperoxide and Geraniol

F. Teixeira (Author) (Other); A. Melo (Author) (FCUP); C. Freire (Author) (FCUP); M. N. D. S. Cordeiro (Author) (FCUP)

2010

Modelling enzyme-ligand interactions

Chapter or Part of a Book

M. J. Ramos (Author) (FCUP); A. Melo (Author) (FCUP); E. S. Henriques (Author) (FCUP)

2001

Utilização de índices quânticos no estudo de reacções de substituição electrofílica aromática

Article in National Scientific Journal

André Melo (Author) (FCUP); J. A. N. F. Gomes (Author) (FCUP)

2003

Hückel: Um programa didáctico para computadores pessoais de sistema operativo MS/DOS

Paulo Sanches (Author) (FCUP); André Melo (Author) (FCUP)

2005

Vaporization of protic ionic liquids derived from organic superbases and short carboxylic acids

Article in International Scientific Journal

Ribeiro, FMS (Author) (Other); Lima, CFRAC (Author) (FCUP); Vaz, ICM (Author) (Other); Rodrigues, ASMC (Author) (Other); Sapei, E (Author) (Other); Andre Melo (Author) (FCUP); Silva, AMS (Author) (Other); Luis M N B F Santos (Author) (FCUP)

2017

Unusual solvent effect on a S(N)2 reaction. A quantum-mechanical and kinetic study of the Menshutkin reaction between 2-amino-1-methylbenzimidazole and iodomethane in the gas phase and in acetonitrile

Melo, A (Author) (FCUP); Alfaia, AJI (Author) (Other); Reis, JCR (Author) (Other); Calado, ART (Author) (Other)

2006

Unusual Color Change of Vinylpyranoanthocyanin-Phenolic Pigments

Alexandre R F Carvalho (Author) (Other); Joana Oliveira (Author) (FCUP); Victor de Freitas (Author) (FCUP); Nuno Mateus (Author) (FCUP); Andre Melo (Author) (FCUP)

2010

Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family

Preto, AJ (Author) (Other); Barreto, CAV (Author) (Other); Baptista, SJ (Author) (Other); de Almeida, JG (Author) (Other); Lemos, A (Author) (Other); Andre Melo (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP); Kurkcuoglu, Z (Author) (Other); Melo, R (Author) (Other); Moreira, IS (Author) (Other)

2020

Understanding M-ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes

Carlos F. R. A. C. Lima (Author) (FCUP); Ricardo J. S. Taveira (Author) (Other); José C. S. Costa (Author) (Other); Ana M. Fernandes (Author) (Other); Andre Melo (Author) (FCUP); Artur M. S. Silva (Author) (Other); Luis M N B F Santos (Author) (FCUP)

2016

Towards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone Amides

Alexandra Gaspar (Author) (Other); Filipe Teixeira (Author) (Other); Eugenio Uriarte (Author) (Other); Nuno Milhazes (Author) (Other); Andre Melo (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP); Francesco Ortuso (Author) (Other); Stefano Alcaro (Author) (Other); Fernanda Borges (Author) (FCUP)

2011

THEORETICAL-STUDY OF IONIZATION-POTENTIALS IN MONOSUBSTITUTED BENZENES

MELO, A (Author) (FCUP); GOMES, JANF (Author) (FCUP)

1993

Theoretical Study on the Diels¿Alder Reaction of Fullerenes: Analysis of Isomerism, Aromaticity, and Solvation

Rodrigues, DJL (Author) (Other); Luis M N B F Santos (Author) (FCUP); Andre Melo (Author) (FCUP); Lima, CFRAC (Author) (FCUP)

2022

Theoretical study of the amino acid interactions in the binding region of the trypsin-pancreatica trypsin inhibitor complex

André Melo (Author) (FCUP); Maria João Ramos (Author) (FCUP)

2002

Theoretical study of the amino acid interactions in the binding region of the trypsin-pancreatic trypsin inhibitor complex

Melo, A (Author) (FCUP); Ramos, MJ (Author) (FCUP)

2002

Theoretical study of arginine-carboxylate interactions

Melo, A (Author) (FCUP); Ramos, MJ (Author) (FCUP); Floriano, WB (Author) (Other); Gomes, JANF (Author) (FCUP); Leao, JFR (Author) (Other); Magalhaes, AL (Author) (FCUP); Maigret, B (Author) (Other); Nascimento, MC (Author) (Other); Reuter, N (Author) (Other)

1999