Anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations

por Trapl, Dalibor, Horvacanin, Izabela, Mareska, Vaclav, Ozcelik, Furkan, Unal, Gozde, Spiwok, Vojtech
Publicado 2019

Atomistic simulation of carbohydrate-protein complex formation: Hevein-32 domain

por Solanke, Charles Oluremi, Trapl, Dalibor, Šućur, Zoran, Mareška, Václav, Tvaroška, Igor, Spiwok, Vojtěch
Publicado 2019