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Laboratoire de Chimie Théorique

Logiciels developpés au LCT

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#LCT_UMR7616

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Laboratoire de Chimie Théorique
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JPhysChemThe Journal of Physical Chemistry@JPhysChem·
12 Juil

Interfacial water many-body effects drive structural dynamics and allosteric interactions in SARS-CoV-2 main protease dimerization interface. @jppiquem @ElAhdab_Dina @LCT_UMR7616
https://t.co/NwMfShS4O6

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jppiquemJean-Philip Piquemal@jppiquem·
8 Juil

Our paper: "Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in #SARSCoV2 Main Protease Dimerization Interface" is featured as (back) Cover in J. Phys. Chem. Lett.! @JPhysChem #compchem

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SollogoubMSollogoub@SollogoubM·
6 Juil

Inaugural day of ISiM initiative for molecular sciences @Sorbonne_Univ_

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jppiquemJean-Philip Piquemal@jppiquem·
6 Juil

#compchem Happy to share that our paper about Atomistic Polarizable Embeddings in hybrid QM/MM simulations makes the Cover of Accounts of Chemical Research! @ACS4Authors @ACSPublications https://t.co/6Iq0hiESqC

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jppiquemJean-Philip Piquemal@jppiquem·
1 Juil

@ChemRxiv @ERC_Research @genci @AWS #compchem Our latest work ASAP in J. Phys. Chem. Lett. @JPhysChem: Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in #SARSCoV2 Main Protease Dimerization Interface #HPC @Genci_fr @AWS @TINKERtoolsMD https://t.co/pguUjdfn2z

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  • Laboratoire de Chimie Théorique, Sorbonne Université, Site Jussieu, Barre 12-13 4ième étage, 4 place Jussieu, 75052 Paris cedex. Tél.: +33 1 44 27 38 44
  • Numéro RNSR: 199712661E