Marcel L Verdonk

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of medicinal chemistry

Journal of chemical information and modeling

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

João Morado, Paul N Mortenson, J Willem M Nissink, Marcel L Verdonk, Richard A Ward, Jonathan W Essex, Chris-Kriton Skylaris
Generation of Quantum Configurational Ensembles Using Approximate Potentials. Journal of chemical theory and computation 17 (11) (2021)
David Norton, William G Bonnette, James F Callahan, Maria G Carr, Charlotte M Griffiths-Jones, Tom D Heightman, Jeffrey K Kerns, Hong Nie, Sharna J Rich, Caroline Richardson, William Rumsey, Yolanda Sanchez, Marcel L Verdonk, Henriëtte M G Willems, William E Wixted, Lawrence Wolfe, Alison J-A Woolford, Zining Wu, Thomas G Davies
Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction. Journal of medicinal chemistry 64 (21) (2021)
João Morado, Paul N Mortenson, Marcel L Verdonk, Richard A Ward, Jonathan W Essex, Chris-Kriton Skylaris
ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields. Journal of chemical information and modeling 61 (4) (2021)
Prakash Chandra Rathi, R Frederick Ludlow, Marcel L Verdonk
Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network. Journal of medicinal chemistry 63 (16) (2019)
Prakash Chandra Rathi, R Frederick Ludlow, Richard J Hall, Christopher W Murray, Paul N Mortenson, Marcel L Verdonk
Predicting "Hot" and "Warm" Spots for Fragment Binding. Journal of medicinal chemistry 60 (9) (2017)
Richard J Hall, Christopher W Murray, Marcel L Verdonk
The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database. Journal of medicinal chemistry 60 (14) (2017)