Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

por Voelz, Vincent A., Luttmann, Edgar, Bowman, Gregory R., Pande, Vijay S.
Publicado 2009

The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo-and Bioinformatics

por Steinbeck, Christoph, Han, Yongquan, Kuhn, Stefan, Horlacher, Oliver, Luttmann, Edgar, Willighagen, Egon
Publicado 2003