CMSP Webinar (Atomistic Simulation Seminar Series) 09/11, 11:00a.m. CET, Prof. Jagannath Mondal

[CMSP Seminars Secretariat]

--------------------------------------------
CMSP Webinar (Atomistic Simulation Seminar Series)
--------------------------------------------

** * * Wednesday**, 9 November 2022, 11:00a.m.**CET* * **
/Zoom registration link: 
https://zoom.us/meeting/register/tJwoceCvrzkuEtFIJ0ekgWBfli1tSmSAlAPj/**

Speaker: *Jagannath Mondal *(TIFR, Hyderabad)

Title: *Atomistic simulation of Ligand binding by Receptor: Folded vs 
disordered Target
*

Abstract:
Ligand binding by biomolecular receptor is a key step for any biological 
process. However, the nature of complexity is apparent in the mechanism 
that underlies this important recognition process.  In this presentation 
I will highlight my group’s efforts in understanding the principle of 
binding process via computer simulation at an atomistic representation. 
The presentation will cover two distinct types of target: namely folded 
protein and disordered protein. We will show a combined strategy of long 
classical molecular simulation together with implementation of Markov 
state model can provide key insights in understanding the recognition 
pathways in folded and disordered protein. The work will touch upon the 
ability of simulation in predicting ligand binding pathways and how 
these can set up cross-talks with experiments.

----

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/

----


-- 
----

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/

CMSP Seminars support:OnlineCMSP at ictp.it  
----