[Soft-matter] Soft Matter and Complex Systems Seminar on 10 Nov 2023

[Maciej Lisicki]

Dear Soft Matter & Complex Systems Colleagues and Friends,

On Friday 10 November 2023 at 9:30 AM at the UW Faculty of Physics (Pasteura 5, Warsaw; room 1.40) we are hosting a seminar during which

Dorota Niedziałek (Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warsaw & Molecure S.A. Warsaw)

will give a talk

The rocket science behind enzymatic machinery
Abstract

The understanding of the catalytic process of a targeted enzyme might be a very important step for successful drug design process. Having an experimentally resolved structure is a must. Yet, it is merely a starting point of the way towards understanding the full picture of the enzyme's mechanism of action. There are several levels of theory we can use for studying an enzymatic machinery. The classical models fail to properly describe catalytic reactions. I would like to show you how we can overcome that limitations by using a combination of polarizable force field models and quantum mechanical calculations.

We warmly welcome everyone to attend the talk and the Soft Matter Coffee Break after the seminar, held in room 2.63 (2nd floor).

Maria Ekiel-Jeżewska
Maciej Lisicki
Piotr Szymczak
Panagiotis Theodorakis
Marek Trippenbach


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