List of works - Aurélien Grosdidier

APDB: a novel measure for benchmarking sequence alignment methods without reference alignments.

scientific article

Combined Simulation and Mutagenesis Analyses Reveal the Involvement of Key Residues for Peroxisome Proliferator-activated Receptorα Helix 12 Dynamic Behavior

scientific article published in Journal of Biological Chemistry

Docking to heme proteins.

scientific article published in November 2009

Docking, virtual high throughput screening and in silico fragment-based drug design

scientific article published on 21 January 2009

EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.

scientific article published in June 2007

ExPASy: SIB bioinformatics resource portal

scientific article published on 31 May 2012

Fast docking using the CHARMM force field with EADock DSS.

scientific article published on 3 May 2011

Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity

scientific article published on 22 September 2011

Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays

scientific article

Local alignment refinement using structural assessment

scientific article

Peroxisome proliferator-activated receptor structures: ligand specificity, molecular switch and interactions with regulators.

scientific article published on 18 January 2007

Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.

scientific article published on 22 May 2012

Rational design of indoleamine 2,3-dioxygenase inhibitors

scientific article

Structural and functional interaction sites between Na,K-ATPase and FXYD proteins.

scientific article published on 2 July 2004

Structural diversity of heparan sulfate binding domains in chemokines

scientific article

SwissDock, a protein-small molecule docking web service based on EADock DSS

scientific article

SwissParam: A fast force field generation tool for small organic molecules

scientific article

SwissTargetPrediction: a web server for target prediction of bioactive small molecules

scientific article published on 3 May 2014

The endocrine disruptor monoethyl-hexyl-phthalate is a selective peroxisome proliferator-activated receptor gamma modulator that promotes adipogenesis

scientific article

Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock.

scientific article published in September 2010

List of works by Aurélien Grosdidier

APDB: a novel measure for benchmarking sequence alignment methods without reference alignments.

Combined Simulation and Mutagenesis Analyses Reveal the Involvement of Key Residues for Peroxisome Proliferator-activated Receptorα Helix 12 Dynamic Behavior

Docking to heme proteins.

Docking, virtual high throughput screening and in silico fragment-based drug design

EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.

ExPASy: SIB bioinformatics resource portal

Fast docking using the CHARMM force field with EADock DSS.

Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity

Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays

Local alignment refinement using structural assessment

Peroxisome proliferator-activated receptor structures: ligand specificity, molecular switch and interactions with regulators.

Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.

Rational design of indoleamine 2,3-dioxygenase inhibitors

Structural and functional interaction sites between Na,K-ATPase and FXYD proteins.

Structural diversity of heparan sulfate binding domains in chemokines

SwissDock, a protein-small molecule docking web service based on EADock DSS

SwissParam: A fast force field generation tool for small organic molecules

SwissTargetPrediction: a web server for target prediction of bioactive small molecules

The endocrine disruptor monoethyl-hexyl-phthalate is a selective peroxisome proliferator-activated receptor gamma modulator that promotes adipogenesis

Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock.