Date
November 7-10, 2023 (Tuesday through Friday)
Lecturers
-
Pietro Vidossich (Italian Institute of Technology, Genoa, Italy) Advanced Molecular Dynamics
-
Alessandra Magistrato (Scuola Internazionale Superiore di Studi Avanzati (SISSA), Trieste, Italy) Quantum Mechanics / Molecular Mechanics
-
Sergio Pantano (Institut Pasteur de Montevideo, (Uruguay) Coarse-Grained
-
Angela Parise CNR-IOM c/o SISSA (Trieste, Italy)
Contents
-
Pietro Vidossich
Dr. Vidossich will cover the theory of the hybrid Quantum Mechanical (QM) / Molecular Mechanical (MM) approach. After briefing reviewing the (pure) QM and MM methods, Dr. Vidossich will outline how to couple them to describe complex biochemical systems. Details of the QM/MM interaction potential will be given, with particular emphasis on electrostatic interactions and boundary terms. Lessons will include examples of the implementation of the method, while hands-on sessions will allow the participants to practice with state of the art QM/MM codes. -
Alessandra Magistrato
In this school I will present how dynamic QM/MM simulations can contribute to understand the mechanism of RNA-based catalyst and metal ions transporters. -
Sergio Pantano
Introduction to coarse-grain (CG) simulations and strategiesThe SIRAH force field for CG biomolecules Multiscale simulations and SIRAH. SIRAH Tools (running and analysis of CG trajectories)
About it
COBO (Computational Bio- Organic Chemistry Bogotá) group is proud to announce this year's event:
3rd COBO School: Multiscale Molecular Simulations
4 days of talks, courses, meetings on the most modern methods in molecular simulations.
A great opportunity to learn some of the most advanced computational methods getting in touch with three international, prestigious researchers.
Poster session on November 9
How
To register, click here
Limited spots! First come, first served.
The cost is 50.000 pesos and will include:
-All the courses and hands-on mentioned in this page
-A notebook, pen, backpack, and event sticker
-Four lunches at the university cafeteria
Participants will have to use their personal laptops
Information
- 120 participants
- 16 natonall and international speakers
- 4 days dedicated to molecular simulations
- 2 courses on advanced computational methods
- 1 great scientific event
Speakers
- Johan Fabian Galindo - Universidad Nacional, Bogotá (Colombia).
- Kristyna Pluhackova - University of Stuttgart (Germany).
- Jhon Zapata - Universidad de los Andes, Bogotá (Colombia).
- David Ramírez - Universidad de Concepción (Chile).
- Juvenal Yosa Reyes - EV Biotech, Groningen (Netherlands).
- Olga López Acevedo - Universidad de Antioquia, Medellin (Colombia):
- Jorge Alí Torres - Universidad Nacional, Bogotá (Colombia).
- Diego Roa Romero - Universidad Antonio Nariño, Bogotá (Colombia).
- Elkin Tilvez Marrugo - Universidad de la Amazonina, Florencia (Colombia).
- Fernando Javier Torres - Universidad San Francisco de Quito (Ecuador).
- Margot Paulino - Universidad de la República, Montevideo (Uruguay).
- Andrés Vásquez - Universidad de los Andes, Bogotá (Colombia):
- Angelica Sandoval Pérez - University of California, San Francisco (United States of America).
About it
The secod edition, in 2022 (planned in 2020 but postponed due the COVID pandemic), took place in a mixed format, being conceived as a school and a congress. The school focused on advanced simulation techniques, including metadynamics and alchemical free energy calculations. One local and one international lecturer oversaw the school. The congress featured also seminars delivered by researches of the Bogotá area and others from Germany, Uruguay and Chile, with the aim of sharing experiences and knowledge and to foster collaborations between different groups. About 70 participants from all over Colombia attended the event, which also included a poster session.
Courses
- "Free Energy Perturbation method for drug discovery" by Pietro Vidossich, Italian Institute of Technology, Genoa (Italy).
- "Advanced Molecular Dynamics simulations techniques" by Gilles Pieffet- Universidad Antonio Nariño, Bogotá (Colombia).
Information
- 17 Talks
- 12 Speakers
- 5 Days
- 3 Invited professors
- 2 Workshops
About it
The event was focused on bioinformatics and drug discovery, highlighting methods used to elucidate structure/function relationships, whose knowledge can guide the rational desing of new drugs.
Three international invited lectures gace two smeinars per day.
Nine local speakers delivered talks during the week about their recent research.
Abour 100 participants from all over Colombia attended the event.
The event also included a poster session.
+60 1 3394999