Nejnovější publikace

Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method\r\n
Journal of Chemical Theory and Computation 2025: Early View
Cation−π Interactions in Biomolecular Contexts by Neutron Scattering and Molecular Dynamics: A Case Study of the Tetramethylammonium Cation
Journal of Physical Chemistry B 129 (27): 6911–6918 (2025)
Ion pairing in aqueous tetramethylammonium–acetate solutions by neutron scattering and molecular dynamics simulations
Physical Chemistry Chemical Physics 27 (5): 2553–2562 (2025)
Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field
Journal of Chemical Theory and Computation 20 (17): 7546–7559 (2024)