CMSP Seminar IN PERSON (Atomistic Simulation Seminar Series) 29 June at 10:00, Prof. Adhikari & Prof. El-Khozondar

[CMSP Seminars Secretariat]

------------------------------------------------
Atomistic Simulation Seminar Series            - REVISED VERSION -
------------------------------------------------

IN PERSON: Luigi Stasi Seminar Room (Leonardo Building, 2nd floor)

Also via Zoom. Link to advance registration: 
https://zoom.us/meeting/register/tJ0kd-2orDgpE9RZuPjTzuUYdrlCqVSP6MYl

** * * **Wednesday, 29 June 2022, 10:00-12:00**CET* * **

Speakers: *Narayan Prasad Adhikari *(Central Department of Physics 
Tribhuvan, University Kathmandu)& *Hala Jarallah El-Khozondar*
(Electrical Engineering and Smart Systems Department, Islamic University 
of Gaza)

Title: *Getting Molecular from Nepal to Palestine*

Abstracts:

O6-alkylguanine-DNA alkyltransferase (AGT) is considered a demethylation 
agent of the methylated DNA. We model two catalytic states of AGT-DNA 
interactions and an AGT-DNA covalent complex and explore structural 
features using molecular dynamics (MD) simulations. The umbrella 
sampling method is used to investigate the changes in the free energy of 
the interactions in two different AGT-DNA catalytic states, one with 
methylated GUA in DNA and the other with methylated CYS145 in AGT. These 
non-covalent complexes represent the pre- and post-repair complexes. 
Therefore, our study encompasses the process of recognition, complex 
formation, and separation of the AGT and the damaged (methylated) DNA 
base. The use of parameters for the amino acid and nucleotide 
modifications and for the protein-DNA covalent bond will allow 
investigations of the DNA repair mechanism. Further, we discuss the 
binding mechanism of SARS/SARS-CoV 2 spike protein with human protein.

- - -

Nanomaterials have distinctive optical, mechanical, electrical, and 
magnetic properties. Thus, they have salient applications including but 
not limited to sensors, solar cells, optoelectronic devices. In 
particular, the sensor and solar cell technologies have high leap in the 
technology world due to the use of nanotechnology and nanomaterials.

In this talk, I will give a preview about nanomaterials and a specific 
type of nanomaterials named metamaterials (MTM). MTMs is a man-made 
material with parameters can be tuned easily to fit certain application. 
Various classes of MTM are defined both experimentally as well as 
theoretically based on either wavelength region or design of 
metamaterial atoms.

I will focus in this talk on fabrication of sensors and solar cells with 
different structures consists of multilayers. The proposed structures 
are made of variant type of materials including nanomaterials to enhance 
their working efficiencies.

----

CMSP Seminars support:OnlineCMSP at ictp.it  

CMSP, Condensed Matter & Statistical Physics Section
http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/

----