H. Maarten Vinkers

Computer Science · Physical Sciences

8h-index922citations11works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(7), HIV/AIDS drug development and treatment(6), HIV Research and Treatment(4), Protein Structure and Dynamics(3), Analytical Chemistry and Chromatography(2)

Publications11 total

Ab Initio potential grid based docking: From High Performance Computing to In Silico Screening
AIP conference proceedings·2007· 3 citedOpen Access
Improving QSAR models for the biological activity of HIV Reverse Transcriptase inhibitors: Aspects of outlier detection and uninformative variable elimination
Talanta·2005· 26 cited
Structure Based Activity Prediction of HIV-1 Reverse Transcriptase Inhibitors
Journal of Medicinal Chemistry·2005· 28 cited
Multivariate adaptive regression splines—studies of HIV reverse transcriptase inhibitors
Chemometrics and Intelligent Laboratory Systems·2004· 52 cited
Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
Journal of Medicinal Chemistry·2004· 511 cited
Classification and Regression TreesStudies of HIV Reverse Transcriptase Inhibitors
Journal of Chemical Information and Computer Sciences·2004· 37 cited
Computational drug design : Method development and application to HIV inhibitor design
Digital Academic REpository of VU University Amsterdam (Vrije Universiteit Amsterdam)·2004Open Access
Inhibition and substrate recognition – a computational approach applied to HIV protease
Journal of Computer-Aided Molecular Design·2003· 12 cited
SYNOPSIS:  SYNthesize and OPtimize System in Silico
Journal of Medicinal Chemistry·2003· 227 cited
Ligand-based Computation of HIV-1 Integrase Inhibition Strength within a Series of β-ketoamide Derivatives
2003· 1 cited
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s
Journal of Computer-Aided Molecular Design·1998· 25 cited

Frequent Co-authors

Marc R. de Jonge(9), Paul Lewi(8), Jan Heeres(8), Paul A. J. Janssen(6), Frits Daeyaert(5), Lucien M. H. Koymans(3), Frederik F. D. Daeyaert(3), Joop H. van Lenthe(3), M. Daszykowski(3), Beata Walczak(3), Luc Koymans(3), Qingsong Xu(2), D.L. Massart(2), Kalyan Das(1), Arthur D. Clark(1), Donald Ludovici(1), Michael J. Kukla(1), Bart De Corte(1), Robert W. Kavash(1), Chih Y. Ho(1)