Thijs Beuming

Orcid: 0000-0002-5991-7118

According to our database1, Thijs Beuming authored at least 14 papers between 2004 and 2023.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of five.

Timeline

Legend:

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PhD thesis 
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Links

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Bibliography

2023
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures.
J. Chem. Inf. Model., March, 2023

2022
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures.
J. Chem. Inf. Model., 2022

2020
Rigorous Free Energy Simulations in Virtual Screening.
J. Chem. Inf. Model., 2020

2018
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces.
J. Chem. Inf. Model., 2018

2016
Relative Binding Free Energy Calculations Applied to Protein Homology Models.
J. Chem. Inf. Model., 2016

In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor.
J. Comput. Aided Mol. Des., 2016

2014
Predicting GPCR Promiscuity Using Binding Site Features.
J. Chem. Inf. Model., 2014

Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A<sub>2A</sub> Receptor.
J. Chem. Inf. Model., 2014

2013
Improved Docking of Polypeptides with Glide.
J. Chem. Inf. Model., 2013

Structure-Based Virtual Screening of MT<sub>2</sub> Melatonin Receptor: Influence of Template Choice and Structural Refinement.
J. Chem. Inf. Model., 2013

2012
Current Assessment of Docking into GPCR Crystal Structures and Homology Models: Successes, Challenges, and Guidelines.
J. Chem. Inf. Model., 2012

2010
TRAC: A Platform for Structure-Function Studies of NSS-Proteins Integrates Information from Bioinformatics and Biomedical Literature.
Proceedings of the 10th IEEE International Conference on Bioinformatics and Bioengineering, 2010

2005
PDZBase: a protein?Cprotein interaction database for PDZ-domains.
Bioinform., 2005

2004
A knowledge-based scale for the analysis and prediction of buried and exposed faces of transmembrane domain proteins.
Bioinform., 2004


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