Valérie Brenner

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 26

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Top Venues

Chemical communications (Cambridge, England)

Physical chemistry chemical physics : PCCP

Chemical science

Chemistry (Weinheim an der Bergstrasse, Germany)

This page only lists publications with an associated author ORCID identifier.

Publications

Dayi Liu, Sylvie Robin, Eric Gloaguen, Valérie Brenner, Michel Mons, David J Aitken
Effects of sulfoxide and sulfone sidechain-backbone hydrogen bonding on local conformations in peptide models. Chemical communications (Cambridge, England) 60 (15) (2024)
Dayi Liu, Sylvie Robin, Eric Gloaguen, Valérie Brenner, Michel Mons, David J Aitken
Effects of sulfoxide and sulfone sidechain-backbone hydrogen bonding on local conformations in peptide models. Chemical communications (Cambridge, England) (2024)
Dayi Liu, Sylvie Robin, Eric Gloaguen, Valérie Brenner, Michel Mons, David J Aitken
Effects of sulfoxide and sulfone sidechain-backbone hydrogen bonding on local conformations in peptide models. Chemical communications (Cambridge, England) 60 (15) (2024)
Zeynab Imani, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Katia Le Barbu-Debus, Anne Zehnacker-Rentien, Sylvie Robin, David J Aitken, Michel Mons
Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model. Chemical communications (Cambridge, England) 59 (9) (2023)
Hikaru Takayanagi, Jean-Xavier Bardaud, Keisuke Hirata, Valérie Brenner, Eric Gloaguen, Shun-Ichi Ishiuchi, Masaaki Fujii
Stepwise hydration of [CH 3 COOMg] + studied by cold ion trap infrared spectroscopy: insights into interactions in the magnesium channel selection filters. Physical chemistry chemical physics : PCCP (2023)
Zeynab Imani, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Katia Le Barbu-Debus, Anne Zehnacker-Rentien, Sylvie Robin, David J Aitken, Michel Mons
Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model. Chemical communications (Cambridge, England) 59 (9) (2023)
Dayi Liu, Jean-Xavier Bardaud, Zeynab Imani, Sylvie Robin, Eric Gloaguen, Valérie Brenner, David J Aitken, Michel Mons
Length-Dependent Transition from Extended to Folded Shapes in Short Oligomers of an Azetidine-Based α-Amino Acid: The Critical Role of NH···N H-Bonds. Molecules (Basel, Switzerland) 28 (13) (2023)
Zeynab Imani, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Katia Le Barbu-Debus, Anne Zehnacker-Rentien, Sylvie Robin, David J Aitken, Michel Mons
Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model. Chemical communications (Cambridge, England) (2023)
Zeynab Imani, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Katia Le Barbu-Debus, Anne Zehnacker-Rentien, Sylvie Robin, David J Aitken, Michel Mons
Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model. Chemical communications (Cambridge, England) 59 (9) (2023)
Viola C D'mello, Gildas Goldsztejn, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Florence Charnay-Pouget, David J Aitken, Michel Mons
Characterization of Asx Turn Types and Their Connate Relationship with β-Turns. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (25) (2022)
Gildas Goldsztejn, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Michel Mons
Selenium in Proteins: Conformational Changes Induced by Se Substitution on Methionine, as Studied in Isolated Model Peptides by Optical Spectroscopy and Quantum Chemistry. Molecules (Basel, Switzerland) 27 (10) (2022)
Viola C D'mello, Gildas Goldsztejn, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Florence Charnay-Pouget, David J Aitken, Michel Mons
Characterization of Asx Turn Types and Their Connate Relationship with β-Turns. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (25) (2022)
Jeremy Donon, Jean-Xavier Bardaud, Valérie Brenner, Shun-Ichi Ishiuchi, Masaaki Fujii, Eric Gloaguen
Stepwise dissociation of ion pairs by water molecules: cation-dependent separation mechanisms between carboxylate and alkali-earth metal ions. Physical chemistry chemical physics : PCCP 24 (20) (2022)
Marine Lebel, Thibaut Very, Eric Gloaguen, Benjamin Tardivel, Michel Mons, Valérie Brenner
Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols. International journal of molecular sciences 23 (2) (2022)
Venkateswara Rao Mundlapati, Zeynab Imani, Gildas Goldsztejn, Eric Gloaguen, Valérie Brenner, Katia Le Barbu-Debus, Anne Zehnacker-Rentien, Jean-Pierre Baltaze, Sylvie Robin, Michel Mons, David J Aitken
A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine. Amino acids 53 (4) (2021)
Gildas Goldsztejn, Venkateswara Rao Mundlapati, Jérémy Donon, Benjamin Tardivel, Eric Gloaguen, Valérie Brenner, Michel Mons
An intraresidue H-bonding motif in selenocysteine and cysteine, revealed by gas phase laser spectroscopy and quantum chemistry calculations. Physical chemistry chemical physics : PCCP 22 (36) (2021)
Jeremy Donon, Sana Habka, Michel Mons, Valérie Brenner, Eric Gloaguen
Conformational analysis by UV spectroscopy: the decisive contribution of environment-induced electronic Stark effects. Chemical science 12 (8) (2021)
Jeremy Donon, Sana Habka, Thibaut Very, Florence Charnay-Pouget, Michel Mons, David J Aitken, Valérie Brenner, Eric Gloaguen
Ion Pair Supramolecular Structure Identified by ATR-FTIR Spectroscopy and Simulations in Explicit Solvent*. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (23) (2021)
Valérie Brenner, Thibaut Véry, Michael W Schmidt, Mark S Gordon, Sophie Hoyau, Nadia Ben Amor
Model protein excited states: MRCI calculations with large active spaces vs CC2 method. The Journal of chemical physics 154 (21) (2021)
Gildas Goldsztejn, Venkateswara Rao Mundlapati, Valérie Brenner, Eric Gloaguen, Michel Mons, Carlos Cabezas, Iker Léon, José Luis Alonso
Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the -SH group. Physical chemistry chemical physics : PCCP 22 (36) (2021)
Venkateswara Rao Mundlapati, Zeynab Imani, Viola C D'mello, Valérie Brenner, Eric Gloaguen, Jean-Pierre Baltaze, Sylvie Robin, Michel Mons, David J Aitken
N-H⋯X interactions stabilize intra-residue C5 hydrogen bonded conformations in heterocyclic α-amino acid derivatives. Chemical science 12 (44) (2021)
Zeynab Imani, Venkateswara Rao Mundlapati, Gildas Goldsztejn, Valérie Brenner, Eric Gloaguen, Regis Guillot, Jean-Pierre Baltaze, Katia Le Barbu-Debus, Sylvie Robin, Anne Zehnacker-Rentien, Michel Mons, David J Aitken
Conformation control through concurrent N-H⋯S and N-H⋯O[double bond, length as m-dash]C hydrogen bonding and hyperconjugation effects. Chemical science 11 (34) (2020)
Mi-Song Dupuy, Eric Gloaguen, Benjamin Tardivel, Michel Mons, Valérie Brenner
CC2 Benchmark for Models of Phenylalanine Protein Chains: 0-0 Transition Energies and IR Signatures of the ππ* Excited State. Journal of chemical theory and computation 16 (1) (2019)
Jeremy Donon, Sana Habka, Vanesa Vaquero-Vara, Valérie Brenner, Michel Mons, Eric Gloaguen
Electronic Stark Effect in Isolated Ion Pairs. The journal of physical chemistry letters 10 (23) (2019)
Sana Habka, Thibaut Very, Jeremy Donon, Vanesa Vaquero-Vara, Benjamin Tardivel, Florence Charnay-Pouget, Michel Mons, David J Aitken, Valérie Brenner, Eric Gloaguen
Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations. Physical chemistry chemical physics : PCCP 21 (24) (2019)
Nadia Ben Amor, Sophie Hoyau, Daniel Maynau, Valérie Brenner
Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods. The Journal of chemical physics 148 (18) (2018)