AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective

Anatomy of enzyme channels

Lukáš Pravda, Karel Berka, Radka Svobodová Vařeková et al. · BMC Bioinformatics · 2014 · 122 citations · Full text

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

AQUA-DUCT: a ligands tracking tool

Tomasz Magdziarz, Karolina Mitusińska, Sandra Gołdowska et al. · Bioinformatics · 2017 · 35 citations

Decomposition of total solvation energy into core, side-chains and water contributions: Role of cross correlations and protein conformational fluctuations in dynamics of hydration layer

Sayantan Mondal, Saumyak Mukherjee, Biman Bagchi · Chemical Physics Letters · 2017 · 24 citations · Full text

Protein Chemistry, Biochemistry, Protein Folding +10