Publications

Martini 3: a general purpose force field for coarse-grained molecular dynamics, Paulo C. T. Souza, Riccardo Alessandri, Jonathan Barnoud, Sebastian Thallmair, Ignacio Faustino, Fabian Grünewald, Ilias Patmanidis, Haleh Abdizadeh, Bart M. H. Bruininks, Tsjerk A. Wassenaar, Peter C. Kroon, Josef Melcr, Vincent Nieto, Valentina Corradi, Hanif M. Khan, Jan Domański, Matti Javanainen, Hector Martinez-Seara, Nathalie Reuter, Robert B. Best, Ilpo Vattulainen, Luca Monticelli, Xavier Periole, D. Peter Tieleman, Alex H. de Vries, Siewert J. Marrink, Nature Medicine, 18, 382-388, (2021)
Martini 3 Coarse-Grained Force Field: Small Molecules, Riccardo Alessandri, Jonathan Barnoud, Anders S. Gertsen, Ilias Patmanidis, Alex H. de Vries, Paulo C. T. Souza, Siewert J. Marrink, Advanced Theory and Simulations, 5, 2100391, (2021)
Development of an Improved and Automated Hybrid Docking Method for Computationally Aided Drug Design, Luise Jacobsen, Odense, Denmark, 1 — 76, Masters Thesis, University of Southern Denmark, (2021)
2020
0, (2020)
Multiscale simulation of the focused electron beam induced deposition process, Pablo de Vera, Martina Azzolini, Gennady Sushko, Isabel Abril, Rafael Garcia-Molina, Maurizio Dapor, Ilia A. Solov'yov, Andrey V. Solov'yov, Scientific Reports, 10, 20827, (2020)
Modeling the effect of ion-induced shock waves and DNA breakage with the reactive CHARMM force field, Ida Friis, Alexey Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov, Journal of Computational Chemistry, 41, 2429-2439, (2020)
Correction to "Spontaneous Binding of Molecular Oxygen at the Qo-Site of the bc1 Complex Could Stimulate Superoxide Formation", Peter Husen, Ilia A. Solov'yov, Journal of the American Chemical Society, 142, 11314-11314, (2020)
Quantum mechanical simulations of a carbon ion colliding with a biological target, Andreas Alberg-Fløjborg, Adrian Bøgh Salo, Ilia A. Solov'yov, Journal of Physics B: Atomic, Molecular and Optical Physics, 53, 145202, (2020)
Structural Explanations of Flavin Adenine Dinucleotide Binding in Drosophila melanogaster Cryptochrome, Emil Sjulstok, Ilia A. Solov'yov, Journal of Physical Chemistry Letters, 11, 3866-3870, (2020)
Special issue: Dynamics of systems on the nanoscale (2018). Editorial, Ilko Bald, Ilia A. Solov'yov, Nigel Mason, Andrey V. Solov'yov, European Physical Journal D, 74, 75-82, (2020)