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BioExcel Webinar: GROMACS-PMX for accurate estimation of free energy differences

20.6.2023 15:00 +02:00 CEST - 20.6.2023 16:00 +02:00 CEST

Online

Presenters

 

Sudarshan Behera

I am a postdoctoral researcher in the Computational Biomolecular Dynamics group, at the Max Planck Institute for Multidisciplinary Sciences, Goettingen. I’m involved in developing methods for identifying and tackling convergence issues in non-equilibrium alchemical free energy calculations, as well as in the development of PMX software. Prior to this, I investigated the structure and dynamics of various enzymes using MD and enhanced sampling methods during my Ph. D. at JNCASR, Bangalore, India.

 

PMX website: http://pmx.mpibpc.mpg.de/

Group website: http://www3.mpibpc.mpg.de/groups/de_groot/bgroot.html

Twitter: @sudarshanb259

LinkedIn: linkedin.com/in/sudarshan-behera-466864126

Department Twitter: @CompBioPhys

 

 

 

No registrations available anymore.

Event time

Starts:  

20.6.2023 15:00 +02:00 CEST

Ends:  

20.6.2023 16:00 +02:00 CEST

Event location

Online


Organizer

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