Towards Automated Binding Affinity Prediction Using an Iterative Linear Interaction Energy Approach

by C. Ruben Vosmeer, René Pool, Mariël F. van Stee, Lovorka Perić-Hassler, Nico P. E. Vermeulen, Daan P. Geerke
Published 2014-01-01

Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation.

by Luigi Capoferri, Marlies C A Verkade-Vreeker, Danny Buitenhuis, Jan N M Commandeur, Manuel Pastor, Nico P E Vermeulen, Daan P Geerke
Published 2015-01-01

eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations

by Luigi Capoferri, Marc van Dijk, Ariën S. Rustenburg, Tsjerk A. Wassenaar, Derk P. Kooi, Eko A. Rifai, Nico P. E. Vermeulen, Daan P. Geerke
Published 2017-11-01

The effect of acetaminophen on ubiquitin homeostasis in Saccharomyces cerevisiae.

by Angelina Huseinovic, Jolanda S van Leeuwen, Tibor van Welsem, Iris Stulemeijer, Fred van Leeuwen, Nico P E Vermeulen, Jan M Kooter, J Chris Vos
Published 2017-01-01

Glutathione S-Transferase P1 Protects Against Amodiaquine Quinoneimines-Induced Cytotoxicity but Does Not Prevent Activation of Endoplasmic Reticulum Stress in HepG2 Cells

by Yongjie Zhang, Yongjie Zhang, Shalenie P. den Braver-Sewradj, Michiel W. den Braver, Steven Hiemstra, Nico P. E. Vermeulen, Bob van de Water, Jan N. M. Commandeur, J. C. Vos
Published 2018-04-01