Suchergebnisse - "Willem Jespers"

PubPharm (11)

1

UnCorrupt SMILES: a novel approach to de novo design

in: Journal of Cheminformatics | 2023

von Linde Schoenmaker | Olivier J. M. Béquignon | Willem Jespers | +1

2

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

in: Journal of Cheminformatics | 2023

von Marina Gorostiola González | Remco L. van den Broek | Thomas G. M. Braun | +5

3

Cancer-Related Somatic Mutations in Transmembrane Helices Alter Adenosine A1 Receptor Pharmacology

in: Molecules | 2022

von Xuesong Wang | Willem Jespers | Kim A. N. Wolff | +4

4

Cancer-Associated Mutations of the Adenosine A

in: Molecules | 2022

von Chenlin Feng | Xuesong Wang | Willem Jespers | +6

5

A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models

in: Journal for ImmunoTherapy of Cancer | 2022

von Andreas Lundqvist | Felix Haglund | Johan Hartman | +15

6

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.

in: PLoS Computational Biology | 2021

von Willem Jespers | Laura H Heitman | Adriaan P IJzerman | +4

7

Free-Energy Calculations for Bioisosteric Modifications of A

in: International Journal of Molecular Sciences | 2019

von Zuzana Jandova | Willem Jespers | Eddy Sotelo | +2

8

QligFEP: an automated workflow for small molecule free energy calculations in Q

in: Journal of Cheminformatics | 2019

von Willem Jespers | Mauricio Esguerra | Johan Åqvist | +1

9

Computational methods for GPCR drug discovery

Erschienen: New York, N.Y, Humana Press, [2018]

Methods in molecular biology - 1705

von Heifetz, A.

10

The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site

in: Scientific Reports | 2017

von Anne Cathrine Nøhr | Willem Jespers | Mohamed A. Shehata | +7