Two-Photon Absorption Cross-Sections in Fluorescent Proteins Containing Non-canonical Chromophores Using Polarizable QM/MM

por Rossano-Tapia, Maria, Olsen, Jógvan Magnus Haugaard, Brown, Alex
Publicado 2020

The Impact of Retinal Configuration on the Protein–Chromophore Interactions in Bistable Jumping Spider Rhodopsin-1

por Church, Jonathan R., Olsen, Jógvan Magnus Haugaard, Schapiro, Igor
Publicado 2021

Quantifying electron transfer reactions in biological systems: what interactions play the major role?

por Sjulstok, Emil, Olsen, Jógvan Magnus Haugaard, Solov’yov, Ilia A.
Publicado 2015

Deciphering the Spectral Tuning Mechanism in Proteorhodopsin: The Dominant Role of Electrostatics Instead of Chromophore Geometry

por Church, Jonathan R., Amoyal, Gil S., Borin, Veniamin A., Adam, Suliman, Olsen, Jógvan Magnus Haugaard, Schapiro, Igor
Publicado 2022

MiMiC: Multiscale Modeling in Computational Chemistry

por Bolnykh, Viacheslav, Olsen, Jógvan Magnus Haugaard, Meloni, Simone, Bircher, Martin P., Ippoliti, Emiliano, Carloni, Paolo, Rothlisberger, Ursula
Publicado 2020

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations

por Raghavan, Bharath, Schackert, Florian K., Levy, Andrea, Johnson, Sophia K., Ippoliti, Emiliano, Mandelli, Davide, Olsen, Jógvan Magnus Haugaard, Rothlisberger, Ursula, Carloni, Paolo
Publicado 2023

Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model

por Dundas, Karen Oda Hjorth Minde, Beerepoot, Maarten T. P., Ringholm, Magnus, Reine, Simen, Bast, Radovan, List, Nanna Holmgaard, Kongsted, Jacob, Ruud, Kenneth, Olsen, Jógvan Magnus Haugaard
Publicado 2021