Thijs Beuming

Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

Lingle Wang, Yujie Wu, Yuqing Deng et al. · Journal of the American Chemical Society · 2015 · 1.3K citations

Drug Target, Engineering, Computational Chemistry +26

Improved Docking of Polypeptides with Glide

Ivan Tubert‐Brohman, Woody Sherman, Matt Repasky et al. · Journal of Chemical Information and Modeling · 2013 · 1.3K citations

Peptide Engineering, Molecular Biology, Peptide Science +19

The binding sites for cocaine and dopamine in the dopamine transporter overlap

Thijs Beuming, Julie Kniazeff, M Bergmann et al. · Nature Neuroscience · 2008 · 347 citations · Full text

Dopamine Transporter Overlap, Health Sciences, Neurophysiology +13

A Comprehensive Structure-Based Alignment of Prokaryotic and Eukaryotic Neurotransmitter/Na+ Symporters (NSS) Aids in the Use of the LeuT Structure to Probe NSS Structure and Function

Thijs Beuming, Lei Shi, Jonathan A. Javitch et al. · Molecular Pharmacology · 2006 · 259 citations

Rigorous Free Energy Simulations in Virtual Screening

Zoe Cournia, Bryce K. Allen, Thijs Beuming et al. · Journal of Chemical Information and Modeling · 2020 · 213 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +19