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R.

@RolfDavid23

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Joined October 2015
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@RERB
RER B
@RERB
7 months
[⚠️Mouvement social] Ce lundi 5 et mardi 6 mai, prévoyez des perturbations sur le #RERB.
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@CNRSchimie
CNRS Chimie
@CNRSchimie
1 year
#chimie ⚗️ #ResultatScientifique 📕 🔎 l Entraîner des neurones artificiels à s’affranchir des limitations des simulations moléculaires un nouveau regard sur deux réactions de la chimie prébiotique. 🤝 @CNRS_Paris @ENS_ULM @Sorbonne_Univ_ @psl_univ ➡️ https://t.co/23RPWSJg3E
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@AlainSchuhl
Alain Schuhl
@AlainSchuhl
1 year
De l'utilisation de l’intelligence artificielle pour décrypter les origines de la vie https://t.co/oSi6CberYd Une méthode systématique d'entrainement de neurones artificiels permet de démêler les mécanismes de deux réactions cruciales de la chimie prébiotique @CNRSchimie @CNRS
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@RolfDavid23
R.
@RolfDavid23
2 years
One reaction mechanism can hide another. Combining machine-learned potential simulations with transition path sampling reveals two mechanisms for peptide bond formation in water. @Chimie__ENS @CNRSchimie @sorbonne_univ @UV_EG
@J_A_C_S
J. Am. Chem. Soc.
@J_A_C_S
2 years
Competing Reaction Mechanisms of Peptide Bond Formation in Water Revealed by Deep Potential Molecular Dynamics and Path Sampling | Journal of the American Chemical Society @ENS_ULM #Mechanism #Peptide #Water #Deep #MD #Path #Sampling
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@J_A_C_S
J. Am. Chem. Soc.
@J_A_C_S
2 years
Competing Reaction Mechanisms of Peptide Bond Formation in Water Revealed by Deep Potential Molecular Dynamics and Path Sampling | Journal of the American Chemical Society @ENS_ULM #Mechanism #Peptide #Water #Deep #MD #Path #Sampling
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pubs.acs.org
The formation of an amide bond is an essential step in the synthesis of materials and drugs, and in the assembly of amino acids to form peptides. The mechanism of this reaction has been studied...
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