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Journal of Computational Chemistry|December 15, 2018
Big data analysis of ab Initio molecular integrals in the neglect of diatomic differential overlap approximationXin Wu, Pavlo O Dral, Axel Koslowski, et al.The Journal of Chemical Physics|July 5, 2011
A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic stateAndrey Yachmenev, Sergei N Yurchenko, Per Jensen, et al.Chembiochem : a European Journal of Chemical Biology|August 14, 2013
Photophysics of structurally modified flavin derivatives in the blue-light photoreceptor YtvA: a combined experimental and theoretical studyMario R Silva, Madina Mansurova, Wolfgang Gärtner, et al.Journal of Chemical Theory and Computation|November 22, 2015
Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene PhotoisomerizationJosé A Gámez, Oliver Weingart, Axel Koslowski, et al.The Journal of Physical Chemistry Letters|December 17, 2015
Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum EfficiencyAlexander Nikiforov, Jose A Gamez, Walter Thiel, et al.Nature Communications|April 17, 2019
Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shootingKei-Ichi Okazaki, David Wöhlert, Judith Warnau, et al.Autophagy|December 9, 2024
Janus-like behavior of intrinsically disordered regions in reticulophagySergio Alejandro Poveda-Cuevas, Kateryna Lohachova, Borna Markusic, et al.Journal of the American Chemical Society|September 24, 2016
Antigenic Peptide Recognition on the Human ABC Transporter TAP Resolved by DNP-Enhanced Solid-State NMR SpectroscopyElisa Lehnert, Jiafei Mao, Ahmad Reza Mehdipour, et al.Plos Computational Biology|April 1, 2021
Computational epitope map of SARS-CoV-2 spike proteinMateusz Sikora, Sören von Bülow, Florian E C Blanc, et al.Proceedings of the National Academy of Sciences of the United States of America|October 25, 2024
Intrinsically disordered region amplifies membrane remodeling to augment selective ER-phagySergio Alejandro Poveda-Cuevas, Kateryna Lohachova, Borna Markusic, et al.Pageof 59