Ariën S. Rustenburg

Publication Activity (10 Years)

Years Active: 2016-2021
Publications (10 Years): 5

Top Topics

Water Distribution

Multiresolution

Predicted Values

Human Interaction

Top Venues

J. Comput. Aided Mol. Des.

J. Cheminformatics

Publications

Mehtap Isik, Ariën S. Rustenburg, Andrea Rizzi, Marilyn R. Gunner, David L. Mobley, John D. Chodera
predictions. J. Comput. Aided Mol. Des. 35 (2) (2021)
Marilyn R. Gunner, Taichi Murakami, Ariën S. Rustenburg, Mehtap Isik, John D. Chodera
s, are ideal for describing small molecule protonation and tautomeric states. J. Comput. Aided Mol. Des. 34 (5) (2020)
Mehtap Isik, Dorothy Levorse, Ariën S. Rustenburg, Ikenna E. Ndukwe, Heather Wang, Xiao Wang, Mikhail Y. Reibarkh, Gary E. Martin, Alexey A. Makarov, David L. Mobley, Timothy Rhodes, John D. Chodera
pK a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments. J. Comput. Aided Mol. Des. 32 (10) (2018)
Luigi Capoferri, Marc van Dijk, Ariën S. Rustenburg, Tsjerk A. Wassenaar, Derk P. Kooi, Eko Aditya Rifai, Nico P. E. Vermeulen, Daan P. Geerke
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations. J. Cheminformatics 9 (1) (2017)
Ariën S. Rustenburg, Justin Dancer, Baiwei Lin, Jianwen A. Feng, Daniel F. Ortwine, David L. Mobley, John D. Chodera
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge. J. Comput. Aided Mol. Des. 30 (11) (2016)