Willem P. van Hoorn
Publications by Year
Research Areas
Computational Drug Discovery Methods, Supramolecular Chemistry and Complexes, Molecular spectroscopy and chirality, Crystallography and molecular interactions, Machine Learning in Materials Science
Most-Cited Works
- → Global mapping of pharmacological space(2006)816 cited
- → Rapid Discovery of a Novel Series of Abl Kinase Inhibitors by Application of an Integrated Microfluidic Synthesis and Screening Platform(2013)140 cited
- → Pathways for Conformational Interconversion of Calix[4]arenes(1995)110 cited
- → An Organic Molecule with a Rigid Cavity of Nanosize Dimensions(1994)76 cited
- → Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics(2011)61 cited
- → Hydrophobic Concave Surfaces and Cavities by Combination of Calix[4]arenes and Resorcin[4]arenes(1995)60 cited
- → Location of CD4 dimerization site explains critical role of CDR3-like region in HIV-1 infection and T-cell activation and implies a model for complex of coreceptor-MHC(1993)54 cited
- → Conformational Distribution of Tetramethoxycalix[4]arenes by Molecular Modeling and NMR Spectroscopy: A Study of Apolar Solvation(1998)45 cited
- → Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning(2023)45 cited
- → Predicting cytotoxicity from heterogeneous data sources with Bayesian learning(2010)37 cited