Koen Augustyns

According to our database, Koen Augustyns authored at least 3 papers between 2010 and 2018.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2018

Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.

Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter

J. Cheminformatics, 2018

2017

The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability.

Julio Cesar Dias Lopes, Fábio Mendes dos Santos, Andrelly Martins-José, Koen Augustyns, Hans De Winter

J. Cheminformatics, 2017

2010

The use of time-averaged ³J_HH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: Methodology and applications.

Pieter M. S. Hendrickx, Francisco Corzana, Stefaan Depraetere, Dirk A. Tourwé, Koen Augustyns, José C. Martins

J. Comput. Chem., 2010