Open AccessScreening of the Binding Trajectories of Inhibitors via Tunnels using Novel Software CaverDock
Author(s) -
Gaspar Pinto,
Ondřej Vávra,
Piia Kokkonen,
Jiří Filipovič,
Adam Jurčík,
David Bednář,
Barbora Kozlíková,
Jiřı́ Damborský
Publication year - 2018
Publication title -
proceedings of mol2net 2018, international conference on multidisciplinary sciences, 4th edition
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/mol2net-04-06108
Subject(s) - software , computer science , molecular dynamics , graphical user interface , virtual screening , autodock , interface (matter) , transient (computer programming) , computational science , chemistry , operating system , computational chemistry , biochemistry , bubble , maximum bubble pressure method , in silico , gene