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Scientific Reports|September 9, 2015
Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental studyWilliam P Bricker, Prathamesh M Shenai, Avishek Ghosh, et al.Journal of Chemical Theory and Computation|June 7, 2018
Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD SoftwareAndrew E Sifain, Josiah A Bjorgaard, Tammie R Nelson, et al.Journal of Chemical Theory and Computation|July 9, 2020
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics SimulationsWalter Malone, Benjamin Nebgen, Alexander White, et al.Nature Nanotechnology|November 17, 2020
Intermolecular conical intersections in molecular aggregatesAntonietta De Sio, Ephraim Sommer, Xuan Trung Nguyen, et al.Bioinformatics (Oxford, England)|May 13, 2022
Impact of protein conformational diversity on AlphaFold predictionsTadeo Saldaño, Nahuel Escobedo, Julia Marchetti, et al.Journal of Chemical Theory and Computation|July 28, 2023
NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics SimulationsVictor M Freixas, Walter Malone, Xinyang Li, et al.Nucleic Acids Research|November 25, 2020
RepeatsDB in 2021: improved data and extended classification for protein tandem repeat structuresLisanna Paladin, Martina Bevilacqua, Sara Errigo, et al.The Journal of Physical Chemistry. A|July 15, 2025
Roadmap for Molecular Benchmarks in Nonadiabatic DynamicsLéon L E Cigrang, Basile F E Curchod, Rebecca A Ingle, et al.Pageof 8