16 giugno 2022

BtBs Seminar - Modeling studies in organic chemistry: from the conformations of biomolecules to the investigation of reaction mechanisms.

Laura Legnani, giovedì 16 giugno, 2022, ore 16:30, aula U3-04 / Webex

Biotechnology and Biosciences Seminar - giovedì 16 giugno, 2022, ore 16:30, aula U3-04 / Webex

Laura Legnani, Assistant Professor in Organic Chemistry at University of Milano-Bicocca, Department of Biotechnology and Biosciences

Legnani’s Lab

Abstract
Seminari BtBs UNIMIB

The most accessible way to represent the unobservable world is to make a model. Chemical properties and behaviors of molecules can be predicted manipulating their 3D structures.  Molecular modeling represents compounds through models on scale that allow to visualize molecules. Nowadays, the computer is the standard tool for generating these models.

Molecules are not rigid and all atoms permanently move. The low-energy conformers give major contribution to the overall population. To convert one geometry to another, the torsional angle values are changed, favoring complete conformational studies. The exploration of the potential energy surface allows also the localization of the lowest energy barriers connecting minima. This opens the way to study organic reaction mechanisms.

LINK per partecipare al seminario:  https://unimib.webex.com/unimib-it/j.php?MTID=m3c9565eba9e27cb83f9fb4f50c3ccaa6

password:  day16 (32916 da telefoni)

Il seminario è APERTO a tutti.

tag:   #BtBsSeminars   #LegnaniLab_BtBs

Gli attestati di partecipazione al seminario sono validi anche per l’acquisizione dei CFU, per altre informazioni e richiesta, visitare il link dedicato.

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