4th Protein Biophysics at the end of the world
1-4th October 2019 | Montevideo | Uruguay
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Mini-Course 1: Advanced Sampling Techniques in Molecular Dynamics
Mini-Course 1: Advanced Sampling Techniques in Molecular Dynamics
By Adrián Roitberg
By Adrián Roitberg
Date: 1st of October 2019 | 9:00- 12:30
Location: Computers Room, Institut Pasteur de Montevideo.
Previous knowledge: Basic concepts on Molecular Dynamics simulation, Bash skills.
Hardware requirements: Personal desktops will be granted for attendees. Some calculations will run on the National Center for Supercomputing Applications at Uruguay.
Main Software: AMBER
OS: Linux
Recommended literature:
Mini-Course 2: Artificial Intelligence for Quantum Calculations in Life
Mini-Course 2: Artificial Intelligence for Quantum Calculations in Life
By Adrián Roitberg
By Adrián Roitberg
Date: 1st of October 2019 | 14:00-16:30
Location: Computers Room, Institut Pasteur de Montevideo.
Previous knowledge: Basic concepts on Molecular Dynamics simulation and Quantum Mechanics, Bash skills.
Hardware requirements: Personal desktops will be granted for attendees. Some calculations will run on the National Center for Supercomputing Applications at Uruguay.
Main Software: AMBER
OS: Linux
Recommended literature:
- Less is more: Sampling chemical space with active learning [J. Chem. Phys. 2018]
- ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost [Chem. Sci. 2017]
Mini-Course 3: Biomolecular Visualization, Analysis and Rendering for Publication
Mini-Course 3: Biomolecular Visualization, Analysis and Rendering for Publication
By Matías Machado
By Matías Machado
Date: 1st of October 2019 | 9:00-16:30
Location: Seminar Room, Institut Pasteur de Montevideo.
Previous knowledge: Non
Hardware requirements: Bring your own Laptop
OS: Linux, Mac, Windows
Recommended literature:
- Using VMD - An Introductory Tutorial [Curr Protoc Bioinformatics. 2008]
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