Search Results
Mariano Spivak - Hands-on tutorial session: Free energy and enhanced sampling tutorial (Part I)
Archit Vasan - Hands-on tutorial session: Free energy and enhanced sampling tutorial (Part II)
Mariano Spivak - Modeling and parametrization of small molecules with Molefacture and FFTK
210424 Improved Methods for Sampling the Configurational Space of Flexible Biomolecules
Rafael Bernardi - QM/MM calculations with NAMD
Improving sampling of CpHMD simulations coupling with Replica-Exchange/Umbrella Sampling techniques
Rafael Bernardi - Quick setup and analysis of NAMD simulations with QwikMD
Jérôme Hénin - Collective variables
Advanced methods in enhanced sampling - Prof. Jim Pfaendtner (University of Washington/USA)
QM/MM with GROMACS+CP2K - Practical 3
Massively Parallel MD Simulations using NAMD
Rafael Bernardi and Diego Gomes - Ab initio protein structure modeling with Alphafold in VMD
