Aline Thomas

发表

The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials

Marc Albe, Céline Bret, Aline Thomas, 2000 .

Chromones bearing amino acid residues: Easily accessible and potent inhibitors of the breast cancer resistance protein ABCG2.

C. Philouze, O. Renaudet, Aline Thomas, 2020, European journal of medicinal chemistry.

Structure-guided inhibitors of hβ4GalT7

C. Breton, Aline Thomas, S. Fournel‐Gigleux, 2014 .

Chimeric protein-protein interface inhibitors allow efficient inhibition of Type III secretion machinery and Pseudomonas aeruginosa virulence.

Y. Wong, Aline Thomas, M. Fauvarque, 2019, ACS infectious diseases.

In situ assembly and screening of enzyme inhibitors with surface-tension microarrays.

F. Chatelain, O. Burchak, M. Balakirev, 2009, Angewandte Chemie.

Langerin-heparin interaction: two binding sites for small and large ligands as revealed by a combination of NMR spectroscopy and cross-linking mapping experiments.

A. Imberty, J. Angulo, P. Nieto, 2015, Journal of the American Chemical Society.

Probing the Acceptor Active Site Organization of the Human Recombinant β1,4-Galactosyltransferase 7 and Design of Xyloside-based Inhibitors

C. Breton, Aline Thomas, S. Fournel‐Gigleux, 2015, The Journal of Biological Chemistry.

Discovery of new inhibitors of resistant Streptococcus pneumoniae penicillin binding protein (PBP) 2x by structure-based virtual screening.

André Luxen, Laurence Miguet, Aline Thomas, 2009, Journal of medicinal chemistry.

Analysis of domain motions in large proteins

K. Hinsen, A. Thomas, M. Field, 1999, Proteins.

Insights into the mechanism by which interferon-γ basic amino acid clusters mediate protein binding to heparan sulfate.

A. Imberty, Aline Thomas, H. Lortat-Jacob, 2013, Journal of the American Chemical Society.

Tertiary and quaternary conformational changes in aspartate transcarbamylase: a normal mode study

K. Hinsen, A. Thomas, M. Field, 1999, Proteins.

Integrated Molecular Analysis Indicates Undetectable Change in DNA Damage in Mice after Continuous Irradiation at ~ 400-fold Natural Background Radiation

J. Shuga, L. Samson, B. Engelward, 2012, Environmental health perspectives.

Interest of novel N-alkylpyridinium-indolizine hybrids in the field of Alzheimer's disease: Synthesis, characterization and evaluation of antioxidant activity, cholinesterase inhibition, and amyloid fibrillation interference.

S. Chierici, I. Baussanne, Aline Thomas, 2021, Bioorganic chemistry.

Insights into the DNA repair process by the formamidopyrimidine‐DNA glycosylase investigated by molecular dynamics

P. Amara, B. Castaing, Aline Thomas, 2004, Protein science : a publication of the Protein Society.

Deciphering the Glycan Preference of Bacterial Lectins by Glycan Array and Molecular Docking with Validation by Microcalorimetry and Crystallography

Anne Imberty, Aline Thomas, Serge Perez, 2013, PloS one.

The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials

Martin J. Field, Marc Albe, Céline Bret, 2000, J. Comput. Chem..

Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity.

Anne Imberty, Aline Thomas, Annabelle Varrot, 2013, ACS chemical biology.

Is There a Covalent Intermediate in the Viral Neuraminidase Reaction? A Hybrid Potential Free-Energy Study

M. Field, P. Amara, Céline Bret, 1999 .

Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.

D. de Sanctis, E. Maréchal, C. Breton, 2016, The Plant journal : for cell and molecular biology.

Computer simulations of the flexibility of a series of synthetic cyclic peptide analogues

Jeremy C. Smith, B. Roux, Aline Thomas, 1993, Biopolymers.

Langerin-heparin interaction: two binding sites for small and large ligands as revealed by a combination of NMR spectroscopy and cross-linking mapping experiments.

A. Imberty, J. Angulo, P. Nieto, 2015, Journal of the American Chemical Society.