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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.Journal of the American Chemical Society|July 16, 2008
Atomistic insights into rhodopsin activation from a dynamic modelIrina G Tikhonova, Robert B Best, Stanislav Engel, et al.Nature Computational Science|January 4, 2024
Machine-guided path sampling to discover mechanisms of molecular self-organizationHendrik Jung, Roberto Covino, A Arjun, et al.Proceedings of the National Academy of Sciences of the United States of America|May 12, 2016
F1-ATPase conformational cycle from simultaneous single-molecule FRET and rotation measurementsMitsuhiro Sugawa, Kei-Ichi Okazaki, Masaru Kobayashi, et al.Journal of Chemical Theory and Computation|June 13, 2018
Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion ModelOriana De Vos, Richard M Venable, Tanja Van Hecke, et al.Science Advances|February 7, 2024
Three-step docking by WIPI2, ATG16L1, and ATG3 delivers LC3 to the phagophoreShanlin Rao, Marvin Skulsuppaisarn, Lisa M Strong, et al.Molecular Cell|July 11, 2017
Activation of the Unfolded Protein Response by Lipid Bilayer StressKristina Halbleib, Kristina Pesek, Roberto Covino, et al.Science Advances|December 14, 2022
Membrane curvature sensing and stabilization by the autophagic LC3 lipidation machineryLiv E Jensen, Shanlin Rao, Martina Schuschnig, et al.Journal of Computational Chemistry|February 13, 2025
Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC ClusterCarsten Kutzner, Vedran Miletić, Karen Palacio Rodríguez, et al.Pageof 34