Pavel Jungwirth

Všechny publikace

Nejnovější publikace

Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method

S. Fan P. E. Mason V. Cruces Chamorro B. Shanks H. Martinez-Seara P. Jungwirth

Journal of Chemical Theory and Computation 21 (18): 9023–9034 (2025)

NMR-Derived Salt Bridges in Insulin Analogue: Resolving Artifactual Overbinding in Molecular Dynamics via Charge Scaling

N. L. Le Nguyen J. Žák P. Jungwirth M. Lepšík

Journal of Physical Chemistry Letters 16 (29): 7436–7442 (2025)

Cation−π Interactions in Biomolecular Contexts by Neutron Scattering and Molecular Dynamics: A Case Study of the Tetramethylammonium Cation

M. Červenka B. Shanks P. E. Mason P. Jungwirth

Journal of Physical Chemistry B 129 (27): 6911–6918 (2025)

Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals

M. Vitek I. Rončević O. Maršálek H. C. Schewe P. Jungwirth

Nature Communications 16: 4302 (2025)