Full configuration interaction excitations of ethene and butadiene: Resolution of an ancient question C Daday, S Smart, GH Booth, A Alavi, C Filippi Journal of chemical theory and computation 8 (11), 4441-4451, 2012 | 72 | 2012 |
State-specific embedding potentials for excitation-energy calculations C Daday, C König, O Valsson, J Neugebauer, C Filippi Journal of chemical theory and computation 9 (5), 2355-2367, 2013 | 61 | 2013 |
Chromophore–protein coupling beyond nonpolarizable models: Understanding absorption in green fluorescent protein C Daday, C Curutchet, A Sinicropi, B Mennucci, C Filippi Journal of chemical theory and computation 11 (10), 4825-4839, 2015 | 57 | 2015 |
Wavefunction in density functional theory embedding for excited states: Which wavefunctions, which densities? C Daday, C König, J Neugebauer, C Filippi ChemPhysChem 15 (15), 3205-3217, 2014 | 50 | 2014 |
Structural and mechanistic insights into mechanoactivation of focal adhesion kinase MS Bauer, F Baumann, C Daday, P Redondo, E Durner, MA Jobst, ... Proceedings of the National Academy of Sciences 116 (14), 6766-6774, 2019 | 33 | 2019 |
Electronic charge and spin density distribution in a quantum ring with spin-orbit and coulomb interactions C Daday, A Manolescu, DC Marinescu, V Gudmundsson Physical Review B 84 (11), 115311, 2011 | 32 | 2011 |
CONAN: a tool to decode dynamical information from molecular interaction maps D Mercadante, F Gräter, C Daday Biophysical journal 114 (6), 1267-1273, 2018 | 29 | 2018 |
Introducing QMC/MMpol: Quantum Monte Carlo in polarizable force fields for excited states R Guareschi, H Zulfikri, C Daday, FM Floris, C Amovilli, B Mennucci, ... Journal of chemical theory and computation 12 (4), 1674-1683, 2016 | 29 | 2016 |
Understanding conformational dynamics of complex lipid mixtures relevant to biology R Friedman, S Khalid, C Aponte-Santamaría, E Arutyunova, M Becker, ... The Journal of membrane biology 251 (5), 609-631, 2018 | 18 | 2018 |
The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations C Daday, K Kolšek, F Gräter Scientific reports 7 (1), 1-10, 2017 | 17 | 2017 |
Structural basis of Focal Adhesion Kinase activation on lipid membranes I Acebrón, RD Righetto, C Schoenherr, S de Buhr, P Redondo, J Culley, ... The EMBO Journal 39 (19), e104743, 2020 | 9 | 2020 |
The plakin domain of C. elegans VAB-10/plectin acts as a hub in a mechanotransduction pathway to promote morphogenesis SK Suman, C Daday, T Ferraro, T Vuong-Brender, S Tak, S Quintin, ... Development 146 (24), 2019 | 8 | 2019 |
Advances in molecular simulations of protein mechanical properties and function F Franz, C Daday, F Gräter Current opinion in structural biology 61, 132-138, 2020 | 7 | 2020 |
Mechanoradicals in tensed tendon collagen as a source of oxidative stress C Zapp, A Obarska-Kosinska, B Rennekamp, M Kurth, DM Hudson, ... Nature communications 11 (1), 1-8, 2020 | 6 | 2020 |
How fast is too fast in force-probe molecular dynamics simulations? S Sheridan, F Gräter, C Daday The Journal of Physical Chemistry B 123 (17), 3658-3664, 2019 | 5 | 2019 |
A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL T Schubeis, T Le Marchand, C Daday, W Kopec, KT Movellan, J Stanek, ... Proceedings of the National Academy of Sciences 117 (35), 21014-21021, 2020 | 3 | 2020 |
Stability of Biological Membranes upon Mechanical Indentation F Franz, C Aponte-Santamaría, C Daday, V Miletić, F Gräter The Journal of Physical Chemistry B 122 (28), 7073-7079, 2018 | 2 | 2018 |
Coulomb effects on the spin polarization of quantum ring A Manolescu, C Daday, V Gudmundsson Nanosystems Phys. Chem. Math 2 (3), 29-36, 2011 | 2 | 2011 |
Visualization of the mechanosensitive ion channel MscS under membrane tension Y Zhang, C Daday, RX Gu, CD Cox, B Martinac, BL de Groot, T Walz Nature 590 (7846), 509-514, 2021 | 1 | 2021 |
How ARVC-related mutations destabilize desmoplakin: An MD study C Daday, LM Mateyka, F Gräter Biophysical journal 116 (5), 831-835, 2019 | 1 | 2019 |