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Journal of Chemical Theory and Computation|February 15, 2018
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) ModelsCarles Curutchet, Lorenzo Cupellini, Jacob Kongsted, et al.ACS Physical Chemistry Au|March 30, 2026
Unraveling Charge-Transfer States and Their Ultrafast Dynamics in Artificial Light-Harvesting ComplexesLuís Gustavo Teixeira Alves Duarte, Iker Lamas, Dominik Bäuerle, et al.Journal of Medicinal Chemistry|December 13, 2006
Binding of 13-amidohuprines to acetylcholinesterase: exploring the ligand-induced conformational change of the gly117-gly118 peptide bond in the oxyanion holePelayo Camps, Elena Gómez, Diego Muñoz-Torrero, et al.Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|August 28, 2007
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645Tihana Mirkovic, Alexander B Doust, Jeongho Kim, et al.Journal of the American Chemical Society|September 4, 2024
Enumerative Discovery of Noncanonical Polypeptide Secondary StructuresAdam P Moyer, Theresa A Ramelot, Mariano Curti, et al.Pageof 7