The dates, program and details of every Workshop are given below

 

 

Each participant will work with their computer, preferably with a Linux operating system; Mac OS can be used. If you have Windows, you must install WSL (https://learn.microsoft.com/enus/windows/wsl/install).

 

 

Beginners Workshop iconfile
Coordinators: Alexander Pérez de la Luz (UAM-Iztapalapa)
Objective: Discuss the methodology necessary to reliably and efficiently use the programs: LAMMPS, and GROMACS. There will also be hands-on practice with visualization packages such as VMD and introductory courses for a beginner level. Being a theoretical - practical workshop. 

Dates: From Monday, August 26 to Friday, August 30, 2024.
Registration deadline is August 23, 2024. The format will be online via zoom.

   

Molecular dynamics applications and force field development iconfile
Coordinators: 
Dr. Edgar Omar Castrejón González (ITCelaya) and Dr. José Alejandre (UAM-Iztapalapa)
Objetive: Use the GROMACS and LAMMPS Molecular Dynamics programs in various applications. Review the limitations of OPLS/AA, CHARMM, and TraPPE-UA force fields. Also, apply new strategies (developed by the researchers who teach the course) to improve them. 

Dates: From August 26 to 30, 2024.

Registration deadline is August 23, 2024. The format will be online by zoom.

 

Workshop on Advanced Methods of Electronic Structure and Molecular Dynamics 
Coordinators: Humberto Saint-Martin (UNAM) and José Alejandre (UAM-Iztapalapa)
Objective: Integrate electronic structure and molecular dynamics methodologies to solve condensed phase problems.

Dates: From August 26 to 30, 2024.

Registration deadline is August 23, 2024. The format will be online via zoom.

Workshop on Applications to Biochemistry and Pharmacy. Workshop subject to change iconfile
Coordinator: Dr. César Millán Pacheco
Objective: Discuss, with experts in the field, the methodologies currently employed for studying interactions of macromolecules (proteins, DNA, or membranes) with small ligands. The workshop will cover topics ranging from the use of chemoinformatics, QSAR, molecular docking, to molecular dynamics of macromolecules. The purpose of the workshop is for attendees to gain theoretical and practical experience with experts in the discussed topics.

This course will be held online and the new dates will be provided very soon

 

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SUPPORT VIDEOS FOR THE WORKSHOPS

LINKS TO INSTALL PROGRAMS TO BE USED IN THE WORKSHOPS

 

 

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