Pieter F. W. Stouten

13 papers Journal 12Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
"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
Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari
2023 J jnl
Large-Scale Modeling of Sparse Protein Kinase Activity Data.
J. Chem. Inf. Model.
Sohvi Luukkonen, Erik Meijer, Giovanni Tricarico, Johan Hofmans, Pieter F. W. Stouten, Gerard J. P. van Westen, Eelke B. Lenselink
2021 J jnl
Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge.
J. Comput. Aided Mol. Des.
Eelke B. Lenselink, Pieter F. W. Stouten
2018 J jnl
Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods.
J. Chem. Inf. Model.
Denis Bucher, Pieter F. W. Stouten, Nicolas Triballeau
2007 J jnl
Novel, Customizable Scoring Functions, Parameterized Using N-PLS, for Structure-Based Drug Discovery.
J. Chem. Inf. Model.
Cornel Catana, Pieter F. W. Stouten
2005 J jnl
Linear and Nonlinear Methods in Modeling the Aqueous Solubility of Organic Compounds.
J. Chem. Inf. Model.
Cornel Catana, Hua Gao, Christian Orrenius, Pieter F. W. Stouten
2005 J jnl
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.
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
2004 J jnl
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations.
J. Chem. Inf. Model.
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
2004 J jnl
Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms.
J. Chem. Inf. Model.
Fabrizio Giordanetto, Simona Cotesta, Cornel Catana, Jean-Yves Trosset, Anna Vulpetti, Pieter F. W. Stouten, Romano T. Kroemer
2001 J jnl
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.
Lu Wang, Yong Duan, Pieter F. W. Stouten, George V. De Lucca, Ronald M. Klabe, Peter A. Kollman
2000 J jnl
Fast prediction and visualization of protein binding pockets with PASS.
J. Comput. Aided Mol. Des.
G. Patrick Brady Jr., Pieter F. W. Stouten
1995 J jnl
A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions.
J. Comput. Chem.
Brock A. Luty, Zelda R. Wasserman, Pieter F. W. Stouten, C. Nicholas Hodge, Martin Zacharias, James Andrew McCammon
1992 — conf
The Human Genome and High Performance Computing in Molecular Biology.
Supercomputer
Chris Sander, Reinhard Schneider, Pieter F. W. Stouten