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TITLE: Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2  Full Text
AUTHORS: Zeynep Kurkcuoglu; Panagiotis I Koukos; Nevia Citro; Mikael E Trellet; Rodrigues, JPGLM; Irina S Moreira; Jorge Roel Touris; Adrien S J Melquiond; Cunliang L Geng; Jorg Schaarschmidt; Li C Xue; Anna Vangone; Bonvin, AMJJ;
PUBLISHED: 2018, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 32, ISSUE: 1
INDEXED IN: Scopus WOS
32
TITLE: Computer-aided drug design approaches to study key therapeutic targets in alzheimer’s disease
AUTHORS: Lemos, A; Melo, R; Moreira, IS; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Neuromethods, VOLUME: 132
INDEXED IN: Scopus CrossRef: 2
33
TITLE: Modulation of Protein-Protein Interactions for the Development of Effective Therapeutics - From a Joint Perspective of Experiment and Computation
AUTHORS: Irina Sousa Moreira; Ozge Sensoy;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 8
INDEXED IN: Scopus WOS
34
TITLE: Prediction and Targeting of Interaction Interfaces in G-rotein Coupled Receptor Oligomers
AUTHORS: Anke C Schiedel; Meryem Koese; Carlos Barreto; Beatriz Bueschbell; Giulia Morra; Ozge Sensoy; Irina S Moreira;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 8
INDEXED IN: Scopus WOS
35
TITLE: In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinsons Disease
AUTHORS: Agostinho Lemos; Rita Melo; Antonio Jose Preto; Jose Guilherme Almeida; Irina Sousa Moreira; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 16, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 16
36
TITLE: Computational Approaches in Antibody-drug Conjugate Optimization for Targeted Cancer Therapy
AUTHORS: Rita Melo; Agostinho Lemos; Antonio J Preto; Jose G Almeida; Joao D G Correia; Ozge Sensoy; Irina S Moreira;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 13
INDEXED IN: Scopus WOS
38
TITLE: Spoton: A Machine-Learning Approach for Hot-Spot Determination
AUTHORS: Irina S Moreira; Panos Koukos; Rita Melo; Jose G Almeida; Antonio J Preto; Jorg Schaarschmidt; Mikael Trellet; Zeynep H Gumus; Joaquim Costa; Alexandre M J J Bonvin;
PUBLISHED: 2017, SOURCE: 61st Annual Meeting of the Biophysical-Society in BIOPHYSICAL JOURNAL, VOLUME: 112, ISSUE: 3
INDEXED IN: WOS
39
TITLE: Membrane proteins structures: A review on computational modeling tools  Full Text
AUTHORS: Jose G Almeida; Antonio J Preto; Panagiotis I Koukos; Alexandre M J J Bonvin; Irina S Moreira;
PUBLISHED: 2017, SOURCE: BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, VOLUME: 1859, ISSUE: 10
INDEXED IN: WOS
40
TITLE: Computational studies of G protein-coupled receptor complexes: Structure and dynamics
AUTHORS: Ozge Sensoy; Jose G Almeida; Javeria Shabbir; Irina S Moreira; Giulia Morra;
PUBLISHED: 2017, SOURCE: G PROTEIN-COUPLED RECEPTORS, 2ND EDITION, PT A, VOLUME: 142
INDEXED IN: WOS
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