Sérgio M. Marques

CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

Adam Jurčík, David Bednář, Jan Byška et al. · Bioinformatics · 2018 · 376 citations · Full text

Hydroxypyridinones as “privileged” chelating structures for the design of medicinal drugs

M. Amélia Santos, Sérgio M. Marques, Sı́lvia Chaves · Coordination Chemistry Reviews · 2011 · 128 citations

Medicinal Chemistry, Drug Design, Natural Sciences +9

Design, synthesis and neuroprotective evaluation of novel tacrine–benzothiazole hybrids as multi-targeted compounds against Alzheimer’s disease

Rangappa S. Keri, Catarina Quintanova, Sérgio M. Marques et al. · Bioorganic & Medicinal Chemistry · 2013 · 104 citations · Full text

Medicinal Chemistry, Multi-targeted Compounds, Medicine +8

Impact of the access tunnel engineering on catalysis is strictly ligand‐specific

Shubhangi Kaushik, Sérgio M. Marques, Prashant Khirsariya et al. · FEBS Journal · 2018 · 81 citations · Full text

CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels

Ondřej Vávra, Jiří Filipovič, Jan Plhák et al. · Bioinformatics · 2019 · 81 citations · Full text