List of works - Arnout Voet

A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

scientific article published on 10 May 2014

An integrated fragment based screening approach for the discovery of small molecule modulators of the VWF-GPIbα interaction.

scientific article

An integrated map of HIV genome-wide variation from a population perspective.

scientific article

An optimized MM/PBSA virtual screening approach applied to an HIV-1 gp41 fusion peptide inhibitor.

scientific article

Artificial β-propeller protein-based hydrolases

scientific article published on 01 July 2019

Assay methods for small ubiquitin-like modifier (SUMO)-SUMO-interacting motif (SIM) interactions in vivo and in vitro using a split-luciferase complementation system

scientific article published on 11 December 2013

Combining in silico and in cerebro approaches for virtual screening and pose prediction in SAMPL4.

scientific article published on 21 January 2014

Computational design of a self-assembling symmetrical β-propeller protein.

scientific article

Computational design of symmetrical eight-bladed β-propeller proteins

scientific article published on 01 January 2019

Computational investigation of the HIV-1 Rev multimerization using molecular dynamics simulations and binding free energy calculations

scientific article published on 23 March 2012

Diversity oriented microwave-assisted synthesis of (-)-steganacin aza-analogues.

scientific article published on 28 August 2008

Electrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitors

scientific article (publication date: 2013)

Fragment based drug design: from experimental to computational approaches.

scientific article

Functional conservation of HIV-1 Gag: implications for rational drug design

scientific article published on 31 October 2013

Guards of the great wall: bacterial lysozyme inhibitors ⬇️

scientific article published on July 27, 2012

His22 of TLXI plays a critical role in the inhibition of glycoside hydrolase family 11 xylanases

article

Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry

scientific article published on 01 September 2020

Identification and characterization of MEL-3, a novel AR antagonist that suppresses prostate cancer cell growth

scientific article published on 10 April 2012

Identification of small peptides inhibiting the integrase-LEDGF/p75 interaction through targeting the cellular co-factor

scientific article published on 27 August 2013

In silico, in vitro and cellular analysis with a kinome-wide inhibitor panel correlates cellular LRRK2 dephosphorylation to inhibitor activity on LRRK2.

scientific article published on 3 June 2014

Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein

scientific article published on 02 October 2020

Mapping the binding interface between an HIV-1 inhibiting intrabody and the viral protein Rev

scientific article

Pharmacophore modelling as a virtual screening tool for the discovery of small molecule protein-protein interaction inhibitors.

scientific article

Protein interface pharmacophore mapping tools for small molecule protein: protein interaction inhibitor discovery.

scientific article

Rapid Conformational Fluctuations of Disordered HIV-1 Fusion Peptide in Solution.

scientific article

Reconstruction of ancestral metabolic enzymes reveals molecular mechanisms underlying evolutionary innovation through gene duplication

scientific article

The Saccharomyces cerevisiae EHT1 and EEB1 genes encode novel enzymes with medium-chain fatty acid ethyl ester synthesis and hydrolysis capacity.

scientific article

The discovery of novel human androgen receptor antagonist chemotypes using a combined pharmacophore screening procedure.

scientific article published on 21 February 2013

Virus evolution reveals an exclusive role for LEDGF/p75 in chromosomal tethering of HIV.

scientific article

List of works by Arnout Voet

A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

An integrated fragment based screening approach for the discovery of small molecule modulators of the VWF-GPIbα interaction.

An integrated map of HIV genome-wide variation from a population perspective.

An optimized MM/PBSA virtual screening approach applied to an HIV-1 gp41 fusion peptide inhibitor.

Artificial β-propeller protein-based hydrolases

Assay methods for small ubiquitin-like modifier (SUMO)-SUMO-interacting motif (SIM) interactions in vivo and in vitro using a split-luciferase complementation system

Combining in silico and in cerebro approaches for virtual screening and pose prediction in SAMPL4.

Computational design of a self-assembling symmetrical β-propeller protein.

Computational design of symmetrical eight-bladed β-propeller proteins

Computational investigation of the HIV-1 Rev multimerization using molecular dynamics simulations and binding free energy calculations

Diversity oriented microwave-assisted synthesis of (-)-steganacin aza-analogues.

Electrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitors

Fragment based drug design: from experimental to computational approaches.

Functional conservation of HIV-1 Gag: implications for rational drug design

Guards of the great wall: bacterial lysozyme inhibitors ⬇️

His22 of TLXI plays a critical role in the inhibition of glycoside hydrolase family 11 xylanases

Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry

Identification and characterization of MEL-3, a novel AR antagonist that suppresses prostate cancer cell growth

Identification of small peptides inhibiting the integrase-LEDGF/p75 interaction through targeting the cellular co-factor

In silico, in vitro and cellular analysis with a kinome-wide inhibitor panel correlates cellular LRRK2 dephosphorylation to inhibitor activity on LRRK2.

Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein

Mapping the binding interface between an HIV-1 inhibiting intrabody and the viral protein Rev

Pharmacophore modelling as a virtual screening tool for the discovery of small molecule protein-protein interaction inhibitors.

Protein interface pharmacophore mapping tools for small molecule protein: protein interaction inhibitor discovery.

Rapid Conformational Fluctuations of Disordered HIV-1 Fusion Peptide in Solution.

Reconstruction of ancestral metabolic enzymes reveals molecular mechanisms underlying evolutionary innovation through gene duplication

The Saccharomyces cerevisiae EHT1 and EEB1 genes encode novel enzymes with medium-chain fatty acid ethyl ester synthesis and hydrolysis capacity.

The discovery of novel human androgen receptor antagonist chemotypes using a combined pharmacophore screening procedure.

Virus evolution reveals an exclusive role for LEDGF/p75 in chromosomal tethering of HIV.