Pavel Jungwirth

Direct Membrane Penetration of Oligoarginines by Fluorescence and Cryo-electron Microscopy Combined with Molecular Simulations

This study uses fluorescence, cryo-EM, and simulations to show how R9 peptides interact with membranes, causing structural changes like budding and stacking, and proposes a unified mechanism for their penetration.

The Origins of Arginine "Magic": Guanidinium Like-Charge Ion Pairing and Oligoarginine Aggregation in Water by NMR, Cryoelectron Microscopy, and Molecular Dynamics Simulations

This study quantifies weak like-charge pairing of guanidinium ions in water using NMR, MD simulations, and cryo-EM, contrasting with ammonium ions and showing oligoarginine aggregation.

Vesicle Internalization Proceeds via a Morphological Phase Transition

The paper identifies a morphological phase transition in hemifused vesicles during internalization, showing how physical parameters influence the transition between lens-like and kettle geometries.

Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field

prosECCo75 improves MD simulations by incorporating electronic polarization, enhancing accuracy in modeling electrostatic interactions in biological systems without increasing computational cost.

From the outer ear to the nerve: A complete computer model of the peripheral auditory system

The paper presents a complete computer model of the peripheral auditory system integrating all components to study hearing mechanisms and deafness.