What can we learn from molecular dynamics simulations for GPCR drug design?

by Christofer S. Tautermann, Daniel Seeliger, Jan M. Kriegl
Published 2015-01-01

Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research

by Laurianne David, Laurianne David, Josep Arús-Pous, Josep Arús-Pous, Johan Karlsson, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Jan M. Kriegl, Bernd Beck, Hongming Chen, Hongming Chen
Published 2019-11-01