Course/Event Essentials
Event/Course Start
Event/Course End
Event/Course Format
Online
Live (synchronous)
Primary Event/Course URL
Training Content and Scope
Scientific Domain
Technical Domain
Level of Instruction
Beginner
Intermediate
Sector of the Target Audience
Research and Academia
HPC Profile of Target Audience
Application Users
Language of Instruction
Other Information
Organiser
Supporting Project(s)
BioExcel-2
Event/Course Description
Overview
The summer school will include lectures and hands-on sessions on the following topics:
- Molecular Dynamics simulations
- Biomolecular Docking
- QM/MM
- Free energy calculations
- Advanced sampling methods (Metadynamics)
During the hands-on computer practicals you will work on a use case integrating the various topics above making use, among others, of the BioExcel flagship software (GROMACS, HADDOCK, PMX). The summer school is supported by Sardegna Ricerche.
Audience and Prerequisites
The summer school is intended for researchers (primarily PhD and post-docs) using or planning to use biomolecular modeling and simulation in their everyday research. Familiarity with Linux and some basic knowledge of molecular modelling software is a requirement.