Marco A. C. Neves

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

Marco A. C. Neves, Maxim Totrov, Ruben Abagyan · Journal of Computer-Aided Molecular Design · 2012 · 365 citations

Computer Science, Benchmarking Results, Engineering +1

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

Ning Sun, Fung‐Yi Chan, Yu‐Jing Lu et al. · PLoS ONE · 2014 · 126 citations · Full text

Bioorganic Chemistry, Antibacterial Activity, Chemical Modification +17

Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90

Giulia Morra, Marco A. C. Neves, Christopher J. Plescia et al. · Journal of Chemical Theory and Computation · 2010 · 87 citations · Full text

New Ligands, Drug Target, Molecular Biology +17

Unusual Arginine Formations in Protein Function and Assembly: Rings, Strings, and Stacks

Marco A. C. Neves, Mark Yeager, Ruben Abagyan · The Journal of Physical Chemistry B · 2012 · 85 citations · Full text

Protein Chemistry, Protein Function, Biochemistry +13

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

Fung‐Yi Chan, Ning Sun, Marco A. C. Neves et al. · Journal of Chemical Information and Modeling · 2013 · 74 citations

Drug Target, Antimicrobial Chemotherapy, Potent Ftsz Inhibitors +21