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Home > Research > Research teams > Computational Molecular Systems Biology > Publications

Computational Molecular Systems Biology

2020

Roos G, Harvey JN.
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl- Oxidation.
J Phys Chem B. 2020 Dec 22. doi: 10.1021/acs.jpcb.0c09409. Epub ahead of print. PMID: 33350832.

Roos G, Oláh J, Ingle R, Kobayashi R, and Feldt M
Online conferences – Towards a new (virtual) reality
Computational and Theoretical Chemistry 1189, 112975; 2020

Dorival J, Philys S, Giuntini E, Brailly R, de Ruyck J, Czjzek M, Biondi E, Bompard C.
Structural and enzymatic characterisation of the Type III effector NopAA (=GunA) from Sinorhizobium fredii USDA257 reveals a Xyloglucan hydrolase activity.
Sci Rep. 2020 Jun 18;10(1):9932. doi: 10.1038/s41598-020-67069-4. PMID: 32555346; PMCID: PMC7303141.

Lensink MF, Nadzirin N, Velankar S, Wodak SJ.
Modeling protein-protein, protein-peptide, and protein-oligosaccharide complexes: CAPRI 7th edition.
Proteins. 2020 Aug;88(8):916-938. doi: 10.1002/prot.25870. Epub 2020 Jan 10. PMID: 31886916.

Coralie Assailly, Clarisse Bridot, Amélie Saumonneau, Paul Lottin, Benoit Roubinet, Eva-Maria Krammer, Francesca François, Frederica Vena, Ludovic Landemarre, Dimitri Alvarez Dorta, David Deniaud, Cyrille Grandjean, Charles Tellier, Sagrario Pascual, Véronique Montembault, Laurent Fontaine, Franck Daligault, Julie Bouckaert, Sébastien G. Gouin
Polyvalent transition-state analogues of sialyl substrates strongly inhibit bacterial sialidases.
Chem. Eur. J. https://doi.org/10.1002/chem.202004672

Arghya Majee, Markus Bier, Ralf Blossey, and Rudolf Podgornik
Charge symmetry broken complex coacervation
Phys. Rev. Research; 2020; https://doi.org/10.1103/PhysRevResearch.2.043417

Cristina-Cassiana Andrei, Anne Moraillon, Stephanie Lau, Nordin Felidj, Nao Yamakawa, Julie Bouckaert, Eric Larquet, Rabah Boukherroub, François Ozanam, Sabine Szunerits, Anne Chantal Gouget-Laemmel
Rapid and sensitive identification of uropathogenic Escherichia coli using a Surface-Enhanced-Raman-Scattering-based biochip.
Talanta; 2020; https://doi.org/10.1016/j.talanta.2020.121174

Schiessel H, Blossey R.
Pioneer transcription factors in chromatin remodeling: The kinetic proofreading view.
Phys Rev E. 2020 Apr;101(4-1):040401. doi: 10.1103/PhysRevE.101.040401. PMID: 32422793.

de Ruyck J, Dupont C, Lamy E, Le Moigne V, Biot C, Guérardel Y, Herrmann JL, Blaise M, Grassin-Delyle S, Kremer L, Dubar F.
Structure-Based Design and Synthesis of Piperidinol-Containing Molecules as New Mycobacterium abscessus Inhibitors.
ChemistryOpen. 2020 Mar 20;9(3):351-365. doi: 10.1002/open.202000042. PMID: 32211280; PMCID: PMC7083170.

Mohapatra SS, Fioravanti A, Vandame P, Spriet C, Pini F, Bompard C, Blossey R, Valette O, Biondi EG.
Methylation-dependent transcriptional regulation of crescentin gene (creS) by GcrA in Caulobacter crescentus.
Mol Microbiol. 2020 Mar 18. doi: 10.1111/mmi.14500. Epub ahead of print. PMID: 32187735.

Cavdarli S, Yamakawa N, Clarisse C, Aoki K, Brysbaert G, Le Doussal JM, Delannoy P, Guérardel Y, Groux-Degroote S. Profiling of O-acetylated Gangliosides Expressed in Neuroectoderm Derived Cells.
Int J Mol Sci. 2020 Jan 6;21(1):370. doi: 10.3390/ijms21010370. PMID: 31935967; PMCID: PMC6981417.