P. Stouten

发表

An effective solvation term based on atomic occupancies for use in protein simulations

C. Sander, C. Frömmel, Haruki Nakamura, 1993 .

Fast prediction and visualization of protein binding pockets with PASS

Pieter F. W. Stouten, G. Patrick Brady, P. Stouten, 2000, J. Comput. Aided Mol. Des..

Inhibition of protein–protein interactions: The discovery of druglike β‐catenin inhibitors by combining virtual and biophysical screening

Cornel Catana, Jean-Yves Trosset, Stefan Knapp, 2006, Proteins.

The Design and Application of Target-Focused Compound Libraries

C. Harris, P. Stouten, D. Sheppard, 2011, Combinatorial chemistry & high throughput screening.

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

Anna Vulpetti, Pieter F. W. Stouten, Joseph J. McDonald, 2004 .

Conformational aspects of α-hydroxy carboxylic acids, the heralds of stereochemistry

P. Stouten, J. Kroon, L. Kroon-Batenburg, 1989 .

Crystal and molecular structure of sodium picrate monohydrate

P. Stouten, J. Kanters, N. Poonia, 1991 .

Quantitative determination of the topological propensities of amyloidogenic peptides.

P. Stouten, R. Rosal, S. Teichberg, 2006, Biophysical chemistry.

Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat.

Li Xing, Patrizia Crivori, Alan G. E. Wilson, 2004, Journal of medicinal chemistry.

Coordination chemistry of alkali and alkaline earth cations−synthesis and x-ray structural analysis of sodium(picrate)-(1,10-phenanthroline)2

P. Stouten, J. Kanters, N. Poonia, 1987 .

Discovery of N-(3-Carbamoyl-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-lH-pyrazole-5-carboxamide (GLPG1837), a Novel Potentiator Which Can Open Class III Mutant Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Channels to a High Extent.

L. Nelles, P. Stouten, Linda Tomašković, 2018, Journal of medicinal chemistry.

Hydrogen bonds in concreto and in computro: the sequel☆

P. Stouten, J. Kroon, B. P. Eijck, 1991 .

Hydrogen bonds in concreto and in computro

P. Stouten, J. Kroon, 1988 .

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

Pieter F. W. Stouten, Eelke B. Lenselink, P. Stouten, 2021, Journal of Computer-Aided Molecular Design.

Understanding and modulating cyclin-dependent kinase inhibitor specificity: molecular modeling and biochemical evaluation of pyrazolopyrimidinones as CDK2/cyclin A and CDK4/cyclin D1 inhibitors

Pieter F. W. Stouten, Sarah Cox, Karen A. Rossi, 2005, J. Comput. Aided Mol. Des..

Computation Confirms Contraction: A Molecular Dynamics Study of Liquid Methanol, Water and a Methanol-Water Mixture

P. Stouten, J. Kroon, 1990 .

Molecular Dynamics Simulations of some Small Organic Molecules

P. Stouten, B. P. Eijck, 1989 .

Identification and Characterization of Novel CFTR Potentiators

L. Nelles, P. Stouten, A. Swensen, 2018, Front. Pharmacol..

Identification of phosphorylase kinase as a novel therapeutic target through high-throughput screening for anti-angiogenesis compounds in zebrafish

P. Stouten, B. Snaar-Jagalska, C. Quevedo, 2012, Oncogene.

4.12 – Docking and Scoring

P.F.W. Stouten, R. T. Kroemer, P. Stouten, 2007 .

Identification of GLPG/ABBV-2737, a Novel Class of Corrector, Which Exerts Functional Synergy With Other CFTR Modulators

L. Nelles, P. Stouten, Ashvani K. Singh, 2019, Front. Pharmacol..

How does the switch II region of G‐domains work?

C. Sander, A. Wittinghofer, P. Stouten, 1993, FEBS letters.

Conformational aspects of malic acid : A multidisciplinary approach

P. Stouten, J. Kroon, B. R. Leeflang, 1988 .

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

Anna Vulpetti, Pieter F. W. Stouten, Colin McMartin, 2004, J. Chem. Inf. Model..

Structure-function relationship for the highly toxic crotoxin from Crotalus durissus terrificus

G. Vriend, P. Stouten, C. J. Laure, 2004, European Biophysics Journal.

A molecular mechanics/grid method for evaluation of ligand–receptor interactions

Pieter F. W. Stouten, James Andrew McCammon, Martin Zacharias, 1995, J. Comput. Chem..

Conformational aspects of meso-tartaric acid. XI: Structure of lithium hydrogen meso-tartrate monohydrate

P. Stouten, P. Verwer, J. Kroon, 1988 .

Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models

Patrizia Crivori, Anna Vulpetti, Fabrizio Giordanetto, 2005, Proteins.

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

Cornel Catana, Pieter F. W. Stouten, P. Stouten, 2007, J. Chem. Inf. Model..

Large-Scale Modeling of Sparse Protein Kinase Activity Data

G. V. van Westen, P. Stouten, E. B. Lenselink, 2023, Journal of chemical information and modeling.

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

Denis Bucher, Pieter Stouten, Nicolas Triballeau, 2018, J. Chem. Inf. Model..

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

Anna Vulpetti, Cornel Catana, Pieter F. W. Stouten, 2004, J. Chem. Inf. Model..