Willem Jespers

Orcid: 0000-0002-4951-9220

According to our database1, Willem Jespers authored at least 7 papers between 2016 and 2023.

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

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
UnCorrupt SMILES: a novel approach to de novo design.
J. Cheminformatics, December, 2023

3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors.
J. Cheminformatics, December, 2023

Papyrus: a large-scale curated dataset aimed at bioactivity predictions.
J. Cheminformatics, 2023

2021
Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.
PLoS Comput. Biol., 2021

2020
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors.
J. Chem. Inf. Model., 2020

2019
QligFEP: an automated workflow for small molecule free energy calculations in Q.
J. Cheminformatics, 2019

2016
Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.
J. Chem. Inf. Model., 2016


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