Thijs Beuming

Application Science Schrodinger 
Computational Chemistry
"Thijs Beuming"
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Harel Weinstein grad student 2007 Weill Cornell Medical College
 (Structure/function studies of membrane proteins: From molecular modeling and ligand binding to protein -protein interactions of the dopamine transporter.)
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Cournia Z, Allen BK, Beuming T, et al. (2020) Rigorous Free Energy Simulations in Virtual Screening. Journal of Chemical Information and Modeling
Minuesa G, Albanese SK, Xie W, et al. (2019) Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia. Nature Communications. 10: 2691
Ghanakota P, Van Vlijmen HWT, Sherman W, et al. (2018) Large Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at PPI Interfaces. Journal of Chemical Information and Modeling
Tomasini MD, Wang Y, Karamafrooz A, et al. (2018) Conformational Landscape of the PRKACA-DNAJB1 Chimeric Kinase, the Driver for Fibrolamellar Hepatocellular Carcinoma. Scientific Reports. 8: 720
Tomasini MD, Wang Y, Karamafrooz A, et al. (2018) Abstract 4142: Conformational dynamics of the chimeric kinase DNAJB1-PRKACA, the driver for fibrolamellar hepatocellular carcinoma Cancer Research. 78: 4142-4142
Cappel D, Sherman W, Beuming T. (2017) Calculating Water Thermodynamics in the Binding Site of Proteins - Applications of WaterMap to Drug Discovery. Current Topics in Medicinal Chemistry
Bhachoo J, Beuming T. (2017) Investigating Protein-Peptide Interactions Using the Schrödinger Computational Suite. Methods in Molecular Biology (Clifton, N.J.). 1561: 235-254
Lenselink EB, Louvel J, Forti AF, et al. (2016) Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation. Acs Omega. 1: 293-304
Cappel D, Hall ML, Lenselink EB, et al. (2016) Relative Binding Free Energy Calculations Applied to Protein Homology Models. Journal of Chemical Information and Modeling. 56: 2388-2400
Lenselink EB, Beuming T, van Veen C, et al. (2016) In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor. Journal of Computer-Aided Molecular Design
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