Samia Aci-Sèche

发表

Advanced molecular dynamics simulation methods for kinase drug discovery.

R. Arora, P. Bonnet, Samia Aci-Sèche, 2016, Future medicinal chemistry.

A Restrained Molecular Dynamics Empirical Approach for Generating a Small Set of Structures Representative of the Internal Flexibility of a Receptor

C. Marot, Samia Aci-Sèche, L. Morin-Allory, 2009 .

Specific Targeting of Plant and Apicomplexa Parasite Tubulin through Differential Screening Using In Silico and Assay-Based Approaches

A. Imberty, V. Breton, V. Kasam, 2018, International journal of molecular sciences.

Inhibition of PlexA1-mediated brain tumor growth and tumor-associated angiogenesis using a transmembrane domain targeting peptide

G. Roussel, Samia Aci-Sèche, M. Genest, 2016, Oncotarget.

Transmembrane domain targeting peptide antagonizing ErbB2/Neu inhibits breast tumor growth and metastasis.

Samia Aci-Sèche, D. Brasse, P. Laquerriere, 2014, Cell reports.

Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites

P. Bonnet, Samia Aci-Sèche, J. Diharce, 2020, ACS omega.

Transmembrane Recognition of the Semaphorin Co-Receptors Neuropilin 1 and Plexin A1: Coarse-Grained Simulations

J. Sturgis, Samia Aci-Sèche, M. Genest, 2014, PloS one.

A Triple Spin‐Labeling Strategy Coupled with DEER Analysis to Detect DNA Modifications and Enzymatic Repair

Samia Aci-Sèche, D. Gasparutto, S. Gambarelli, 2011, Chembiochem : a European journal of chemical biology.

Palladium‐Catalyzed Regioselective C−H Arylation of 4‐Azaindazole at C3, C5 and C7 Positions

P. Bonnet, Samia Aci-Sèche, S. E. Kazzouli, 2021 .

Lesion-induced DNA weak structural changes detected by pulsed EPR spectroscopy combined with site-directed spin labelling

Samia Aci-Sèche, D. Gasparutto, S. Gambarelli, 2009, Nucleic acids research.

Synthesis and properties of 2'-O-neopentyl modified oligonucleotides.

Samia Aci-Sèche, U. Asseline, S. Bourg, 2013, Organic & biomolecular chemistry.

A Proteometric Analysis of Human Kinome: Insight into Discriminant Conformation-dependent Residues.

Nicolas Bosc, Pascal Bonnet, Samia Aci-Sèche, 2015, ACS chemical biology.

Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB

Stéphane Bourg, Christophe Meyer, Pascal Bonnet, 2020, Molecules.

Pharmacological inhibition of LIM kinase stabilizes microtubules and inhibits neoplastic growth.

S. Knapp, A. di Pietro, C. Nguyen, 2012, Cancer research.

Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.

S. Knapp, D. Brehmer, J. Linders, 2023, European journal of medicinal chemistry.

Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations

Abdennour Braka, Norbert Garnier, Pascal Bonnet, 2019, J. Chem. Inf. Model..

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects.

Abdennour Braka, Pascal Bonnet, Sonia Ziada, 2018, Methods in molecular biology.

VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening.

Stéphane Bourg, Pascal Bonnet, Jade Fogha, 2020, Current medicinal chemistry.

Comparing native and irradiated E. coli lactose repressor-operator complex by molecular dynamics simulation

Samia Aci-Sèche, M. Genest, S. Goffinont, 2010, European Biophysics Journal.

Ligand entry pathways in the ligand binding domain of PPARγ receptor

Norbert Garnier, Samia Aci-Sèche, Samia Aci-Sèche, 2011, FEBS letters.

VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening

Stéphane Bourg, Pascal Bonnet, Samia Aci-Sèche, 2017, Molecular informatics.

A perspective on the sharing of docking data

A. D. de Brevern, P. Bonnet, Joseph Rebehmed, 2023, Data in brief.

A perspective on the sharing of docking data

P. Bonnet, Joseph Rebehmed, Samia Aci-Sèche, 2023, Data in brief.

Data in Brief

Abdulaziz M. Alayba, A. G. Brevern, Md. Nasim Akhtar, 2022 .

The Impact of Data on Structure-Based Binding Affinity Predictions Using Deep Neural Networks

J. C. Gómez-Tamayo, G. Tresadern, Samia Aci-Sèche, 2023, International journal of molecular sciences.

Peptide-Conjugated MRI Probe Targeted to Netrin-1, a Novel Metastatic Breast Cancer Biomarker.

Samia Aci-Sèche, S. Même, A. Pallier, 2024, Bioconjugate chemistry.