HomePh.D. Study at IOCBArchive - 2018Physical and Computational Chemistry

Physical and Computational Chemistry

Tutor Prof. RNDr. Pavel Jungwirth, DSc.
Team

Pavel Jungwirth

Topic Simulations of interactions of ions with biomolecules in aqueous solutions
Faculty PřF UK, FCHT / FPBT VŠCHT
Abstract

Hydration of ions and their interaction with biomolecules plays an important role in many natural and technological processes. The PhD. study will focus on investigating specific ion effect ininteractions with molecules in water. Already in 1888 a German professor from Prague, Franz Hofmeister ordered ions into the so called lyotropic (Hofmeister) series according to their ability to salt out proteins. Using molecular simulations we will attempt at understanding the physical basisof this ion ordering and predict the influence of specific ions on biophysical and biochemical processes.

Ions, water, proteins, molecular dynamics.