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 · 1.4K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

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

Life Sciences, Bioinformatics, Biophysics +17

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

Thijs Beuming, Julie Kniazeff, M Bergmann et al. · Nature Neuroscience · 2008 · 351 citations · Full text

Life Sciences, Neuroscience, Pharmacology +14

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 · 261 citations

Life Sciences, Bioinformatics, Biology +13

Rigorous Free Energy Simulations in Virtual Screening

Zoe Cournia, Bryce K. Allen, Thijs Beuming et al. · Journal of Chemical Information and Modeling · 2020 · 224 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17