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ORCIDThijs Beuming
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2020 – today
- 2023
[j13]Anna M. Díaz-Rovira
, Helena Martín, Thijs Beuming, Lucía Díaz, Victor Guallar, Soumya S. Ray:
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures. J. Chem. Inf. Model. 63(6): 1668-1674 (2023)- 2022
- [j12]Thijs Beuming, Helena Martín, Anna M. Díaz-Rovira, Lucía Díaz, Victor Guallar, Soumya S. Ray:
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures. J. Chem. Inf. Model. 62(18): 4351-4360 (2022) - 2020
- [j11]Zoe Cournia, Bryce K. Allen, Thijs Beuming, David A. Pearlman, Brian K. Radak, Woody Sherman:
Rigorous Free Energy Simulations in Virtual Screening. J. Chem. Inf. Model. 60(9): 4153-4169 (2020)
2010 – 2019
- 2018
- [j10]Phani Ghanakota, Herman van Vlijmen, Woody Sherman, Thijs Beuming:
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces. J. Chem. Inf. Model. 58(4): 784-793 (2018) - 2016
- [j9]Eelke B. Lenselink, Thijs Beuming, Corine van Veen, Arnault Massink, Woody Sherman, Herman W. T. van Vlijmen, Adriaan P. IJzerman:
In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor. J. Comput. Aided Mol. Des. 30(10): 863-874 (2016) - [j8]Daniel Cappel, Michelle Lynn Hall, Eelke B. Lenselink, Thijs Beuming, Jun Qi, James Bradner, Woody Sherman:
Relative Binding Free Energy Calculations Applied to Protein Homology Models. J. Chem. Inf. Model. 56(12): 2388-2400 (2016) - 2014
- [j7]Anat Levit, Thijs Beuming, Goran Krilov, Woody Sherman, Masha Y. Niv:
Predicting GPCR Promiscuity Using Binding Site Features. J. Chem. Inf. Model. 54(1): 184-194 (2014) - [j6]Eelke B. Lenselink, Thijs Beuming, Woody Sherman, Herman W. T. van Vlijmen, Adriaan P. IJzerman:
Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor. J. Chem. Inf. Model. 54(6): 1737-1746 (2014) - 2013
- [j5]Daniele Pala, Thijs Beuming, Woody Sherman, Alessio Lodola, Silvia Rivara, Marco Mor:
Structure-Based Virtual Screening of MT2 Melatonin Receptor: Influence of Template Choice and Structural Refinement. J. Chem. Inf. Model. 53(4): 821-835 (2013) - [j4]Ivan Tubert-Brohman, Woody Sherman, Matthew P. Repasky, Thijs Beuming:
Improved Docking of Polypeptides with Glide. J. Chem. Inf. Model. 53(7): 1689-1699 (2013) - 2012
- [j3]Thijs Beuming, Woody Sherman:
Current Assessment of Docking into GPCR Crystal Structures and Homology Models: Successes, Challenges, and Guidelines. J. Chem. Inf. Model. 52(12): 3263-3277 (2012) - 2010
- [c1]Lei Shi, Marko Srdanovic, Thijs Beuming, Lucy Skrabanek, Jonathan A. Javitch, Harel Weinstein:
TRAC: A Platform for Structure-Function Studies of NSS-Proteins Integrates Information from Bioinformatics and Biomedical Literature. BIBE 2010: 267-272
2000 – 2009
- 2005
- [j2]Thijs Beuming, Lucy Skrabanek, Masha Y. Niv, Piali Mukherjee, Harel Weinstein:
PDZBase: a protein?Cprotein interaction database for PDZ-domains. Bioinform. 21(6): 827-828 (2005) - 2004
- [j1]Thijs Beuming, Harel Weinstein:
A knowledge-based scale for the analysis and prediction of buried and exposed faces of transmembrane domain proteins. Bioinform. 20(12): 1822-1835 (2004)
Coauthor Index
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