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Publications by year (2006-2017)
2017-Simulating the transition path between two known forms of a macromolecule using mixed ENMs:
New accepted manuscript in J. Chem. Phys.
This is a follow up of our previous MAP method (see also a recent article by P. Koehl in J. Chem. Phys.).
-String method simulation of the transition pathway for GLIC, with Pr Toby W. Allen (Melbourne, Australia, corresp. author)
DNA Polymerases and DNA Repair
-X-ray structure of Archaeal polD DNA polymerase reveals a catalytic site similar to multi-subunit RNA polymerases that are found in all domains of life,
by L. Sauguet, P. Raia, G. Henneke and M. Delarue, Nature Comms. (Sept 2016).
-Structural basis for an unexpected "in trans" templated activity by TdT: implications for V(D)J recombination and DNA double-strand-breaks repair in eukaryotes,
J. Loc'h, S. Rosario and M. Delarue, Structure (Sep 2016).
Pentameric Ligand-gated ion channels: drug binding sites in different conformational states
-TdT structures in complex with a DNA synapsis shed new light on DNA Double-Strand-Break Repair by NHEJ (EMBO J., Mar 2015).
-Snapshots of Terminal deoxynucleotidyl transferase caught in action: dynamical aspects of the two-metal-ion mechanism (J. Gouge et al., J. Mol. Biol., Jul 2013)
-Structure of DNA pol B from P. abyssi in editing mode by J. Gouge et al. (JMB)
a web-based software to calculate SAXS spectra from PDB coordinates,
including the solvent density predicted by AquaSol, is now available on-line.
These sites provide online servers for algorithms such as normal mode
calculation, structural refinement, solvation, mutation and (later) transition path calculation.
Go to Main site for more details on the group activities.