A. Grosdidier

发表

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

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2009, Journal of cellular and molecular medicine.

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

V. Zoete, O. Michielin, P. Vogel, 2012, Journal of medicinal chemistry.

Molecular Modeling of Proteins: From Simulations to Drug Design Applications

M. Cuendet, V. Zoete, O. Michielin, 2009 .

Characterization of the Stromal Cell-derived Factor-1α-Heparin Complex*

Anne Imberty, Hugues Lortat-Jacob, A. Imberty, 2001, The Journal of Biological Chemistry.

Identification of Human IKK-2 Inhibitors of Natural Origin (Part I): Modeling of the IKK-2 Kinase Domain, Virtual Screening and Activity Assays

V. Zoete, M. Mulero, S. Garcia-Vallvé, 2011, PloS one.

Local Alignment Refinement Using Structural Assessment

E. Feytmans, O. Michielin, A. Grosdidier, 2008, PloS one.

The Endocrine Disruptor Monoethyl-hexyl-phthalate Is a Selective Peroxisome Proliferator-activated Receptor γ Modulator That Promotes Adipogenesis*

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2007, Journal of Biological Chemistry.

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.

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2011, European journal of medicinal chemistry.

Structural diversity of heparan sulfate binding domains in chemokines

A. Imberty, H. Lortat-Jacob, A. Grosdidier, 2002, Proceedings of the National Academy of Sciences of the United States of America.

In vitro biotransformation of imatinib by the tumor expressed CYP1A1 and CYP1B1

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2008, Biopharmaceutics & drug disposition.

Free anterolateral thigh flap for reconstruction of upper aerodigestive tract defects.

G. Bettega, C. Righini, J. Lebeau, 2011, European annals of otorhinolaryngology, head and neck diseases.

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

Aurélien Grosdidier, Olivier Michielin, Matthias Wirth, 2014, Nucleic Acids Res..

Rational design of indoleamine 2,3-dioxygenase inhibitors.

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2010, Journal of medicinal chemistry.

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

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2011, Nucleic Acids Res..

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

Aurélien Grosdidier, Desmond G. Higgins, Cédric Notredame, 2003, ISMB.

ExPASy: SIB bioinformatics resource portal

Vassilios Ioannidis, Ioannis Xenarios, Aurélien Grosdidier, 2012, Nucleic Acids Res..

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

VINCENT ZOETE, MICHEL A. CUENDET, AURÉLIEN GROSDIDIER, 2011, J. Comput. Chem..

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

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2007, Journal of Biological Chemistry.

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

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin, 2007, Proteins.

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

Olivier Michielin, Vincent Zoete, V. Zoete, 2007, Biochimica et biophysica acta.

Fast docking using the CHARMM force field with EADock DSS

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2011, J. Comput. Chem..

Structural and Functional Interaction Sites between Na,K-ATPase and FXYD Proteins*

K. Geering, O. Michielin, A. Grosdidier, 2004, Journal of Biological Chemistry.

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

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2010, Journal of molecular recognition : JMR.

Blind docking of 260 protein–ligand complexes with EADock 2.0

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2009, J. Comput. Chem..

Docking to heme proteins

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2009, J. Comput. Chem..

Structural and Functional Interaction Sites between Na,K-ATPase and FXYD Proteins*

K. Geering, O. Michielin, A. Grosdidier, 2004, Journal of Biological Chemistry.

Docking to heme proteins

V. Zoete, O. Michielin, U. Röhrig, 2009, J. Comput. Chem..