Marco A. C. Neves

Docking and scoring with ICM: the benchmarking results and strategies for improvement

Ruben Abagyan, Maxim Totrov, Marco A. C. Neves, 2012, Journal of Computer-Aided Molecular Design.

Validation of the AmpC β-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds

Ning Sun, Ruben Abagyan, Kwok-Yin Wong, 2012, J. Chem. Inf. Model..

Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach

Sérgio Simões, Marco A. C. Neves, M. Luisa Sá e Melo, 2010, J. Comput. Aided Mol. Des..

Identification of a New Class of FtsZ Inhibitors by Structure-Based Design and in Vitro Screening

Ning Sun, Ruben Abagyan, Dik-Lung Ma, 2013, J. Chem. Inf. Model..

Rational Design of Berberine-Based FtsZ Inhibitors with Broad-Spectrum Antibacterial Activity

Ruben Abagyan, Yong Wang, Kwok-Yin Wong, 2014, PloS one.