Concepedia

Willem Jespers

WJ

Statistics

Publications

24

Citations

948

H-Index

18

Active since

2016

Affiliations

Uppsala University(Current)

Centre for Human Drug Research

Center for Research in Molecular Medicine and Chronic Diseases

Universidade de Santiago de Compostela

Leiden University

Willem Jespers is an author at Uppsala University specializing in engineering, molecular dynamics, and biophysics.

ORCID

Top concepts

Publications per year

2016–2025

24

Publications

24

GPCRmd uncovers the dynamics of the 3D-GPCRome

Ismael Rodríguez‐Espigares, Mariona Torrens‐Fontanals, Johanna K. S. Tiemann et al. · Nature Methods · 2020 · 186 citations · Full text

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

Willem Jespers, Mauricio Esguerra, Johan Åqvist et al. · Journal of Cheminformatics · 2019 · 82 citations · Full text

Papyrus: a large-scale curated dataset aimed at bioactivity predictions

Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers et al. · Journal of Cheminformatics · 2023 · 72 citations · Full text

Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Henning Henschel, Alfred T. Andersson, Willem Jespers et al. · Journal of Chemical Theory and Computation · 2020 · 70 citations · Full text

, , +19

Potent Inhibition of Nicotinamide <i>N</i>-Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics

Yongzhi Gao, Matthijs J. van Haren, Ned Buijs et al. · Journal of Medicinal Chemistry · 2021 · 65 citations · Full text

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