Pieter F. W. Stouten

According to our database, Pieter F. W. Stouten authored at least 12 papers between 1992 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

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.

Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari

J. Cheminformatics, December, 2024

2021

Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge.

Eelke B. Lenselink, Pieter F. W. Stouten

J. Comput. Aided Mol. Des., 2021

2018

Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods.

Denis Bucher, Pieter F. W. Stouten, Nicolas Triballeau

J. Chem. Inf. Model., 2018

2007

Novel, Customizable Scoring Functions, Parameterized Using N-PLS, for Structure-Based Drug Discovery.

Cornel Catana, Pieter F. W. Stouten

J. Chem. Inf. Model., 2007

2005

Linear and Nonlinear Methods in Modeling the Aqueous Solubility of Organic Compounds.

Cornel Catana, Hua Gao, Christian Orrenius, Pieter F. W. Stouten

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.

Karen A. Rossi, Jay A. Markwalder, Steven P. Seitz, Chong-Hwan Chang, Sarah Cox, Michael D. Boisclair, Leonardo Brizuela, Stephen L. Brenner, Pieter F. W. Stouten

J. Comput. Aided Mol. Des., 2005

2004

Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations.

Romano T. Kroemer, Anna Vulpetti, Joseph J. McDonald, Douglas C. Rohrer, Jean-Yves Trosset, Fabrizio Giordanetto, Simona Cotesta, Colin McMartin, Mats Kihlén, Pieter F. W. Stouten

J. Chem. Inf. Model., 2004

Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms.

Fabrizio Giordanetto, Simona Cotesta, Cornel Catana, Jean-Yves Trosset, Anna Vulpetti, Pieter F. W. Stouten, Romano T. Kroemer

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.

Lu Wang, Yong Duan, Pieter F. W. Stouten, George V. De Lucca, Ronald M. Klabe, Peter A. Kollman

J. Comput. Aided Mol. Des., 2001

2000

Fast prediction and visualization of protein binding pockets with PASS.

G. Patrick Brady Jr., Pieter F. W. Stouten

J. Comput. Aided Mol. Des., 2000

1995

A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions.

Brock A. Luty, Zelda R. Wasserman, Pieter F. W. Stouten, C. Nicholas Hodge, Martin Zacharias, James Andrew McCammon

J. Comput. Chem., 1995

1992

The Human Genome and High Performance Computing in Molecular Biology.

Chris Sander, Reinhard Schneider, Pieter F. W. Stouten

Proceedings of the Supercomputer'92: Anwendungen, Architekturen, Trends, 1992