Aurélien de la Lande

New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses.

Jan Řezáč, Isabelle Demachy, B. Lévy, 2012, Physical chemistry chemical physics : PCCP.

Progress and challenges in simulating and understanding electron transfer in proteins.

Natacha Gillet, Dennis R Salahub, D. Salahub, 2015, Archives of biochemistry and biophysics.

First-principles molecular dynamics evaluation of thermal effects on the NMR (1)J(Li,C) spin-spin coupling.

Jacques Maddaluno, Olivier Parisel, O. Parisel, 2007, Chemistry.

Surface residues dynamically organize water bridges to enhance electron transfer between proteins

Jan Rezác, Barry C Sanders, Dennis R Salahub, 2010, Proceedings of the National Academy of Sciences.

Transmission coefficients for chemical reactions with multiple states: role of quantum decoherence.

Barry C Sanders, Jan Řezáč, Dennis R Salahub, 2011, Journal of the American Chemical Society.

AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms.

Jean-Philip Piquemal, Louis Lagardère, J. Piquemal, 2018, Journal of chemical theory and computation.

Multipoint molecular recognition within a calix[6]arene funnel complex

Olivier Parisel, Sergio Martí, T. Prangé, 2009, Proceedings of the National Academy of Sciences.

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.

Jochen Blumberger, Marcus Elstner, Natacha Gillet, 2016, Journal of chemical theory and computation.

Long distance electron-transfer mechanism in peptidylglycine alpha-hydroxylating monooxygenase: a perfect fitting for a water bridge.

Olivier Parisel, Sergio Martí, Vicent Moliner, 2007, Journal of the American Chemical Society.