Pieter F. W. Stouten

Orcid: 0000-0002-5203-2202

According to our database1, Pieter F. W. Stouten authored at least 13 papers between 1992 and 2024.

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

Timeline

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Bibliography

2024
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases.
J. Cheminformatics, December, 2024

2023
Large-Scale Modeling of Sparse Protein Kinase Activity Data.
J. Chem. Inf. Model., June, 2023

2021
Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge.
J. Comput. Aided Mol. Des., 2021

2018
Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods.
J. Chem. Inf. Model., 2018

2007
Novel, Customizable Scoring Functions, Parameterized Using N-PLS, for Structure-Based Drug Discovery.
J. Chem. Inf. Model., 2007

2005
Linear and Nonlinear Methods in Modeling the Aqueous Solubility of Organic Compounds.
J. Chem. Inf. Model., 2005

Understanding and modulating cyclin-dependent kinase inhibitor specificity: molecular modeling and biochemical evaluation of pyrazolopyrimidinones as CDK2/cyclin A and CDK4/cyclin D1 inhibitors.
J. Comput. Aided Mol. Des., 2005

2004
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations.
J. Chem. Inf. Model., 2004

Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms.
J. Chem. Inf. Model., 2004

2001
Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations.
J. Comput. Aided Mol. Des., 2001

2000
Fast prediction and visualization of protein binding pockets with PASS.
J. Comput. Aided Mol. Des., 2000

1995
A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions.
J. Comput. Chem., 1995

1992
The Human Genome and High Performance Computing in Molecular Biology.
Proceedings of the Supercomputer'92: Anwendungen, Architekturen, Trends, 1992


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