Все публикации

Gromacs - Everything around coding

Gromacs - Testing and testing infrastructure

Gromacs - Structures and interfaces

BioExcel Webinar #79 PDBe resources, starting model selection for molecular dynamics simulations

Gromacs - GitLab and version control

Student Webinar: Summer School Poster Prize Winners 2024

Bioexcel webinar #78: Using interactive Jupyter Notebooks and BioConda for FAIR

Bioexcel webinar #77: Colvars Collective variables module for molecular simulation programs

Bioexcel webinar #76: GROMACS 2023-2024: New features and improvements

Bioexcel webinar #75: VIAMD: A Software for Visual Analysis of Molecular Dynamics

BioExcel Summer School 2024 promotional video

Bioexcel Webinar #74 Temperature and pressure control using first-order stochastic algorithms

Bioexcel Webinar Special Edition: Summer School 2023 poster prize winners

Bioexcel Webinar #73 Competency frameworks to support training design and professional development

BioExcel Webinar #72 Maize - Computational chemistry workflows with cycles and conditions

Recent developments and impact of BioExcel

BioExcel Webinar #71 GROMACS PMX for accurate estimation of free energy differences

BioExcel Webinar #70: Modelling of Biomolecular Complexes with the New Modular Version of HADDOCK

BioExcel Webinar #69: BioBB-Wfs and BioBB-API

BioExcel Webinar #68: What’s new in GROMACS 2023

BioExcel Student Webinar: Summer School 2022 Edition

BioExcel Webinar #67: Introducing HADDOCK3, Enabling modular integrative modelling pipelines

BioExcel Webinar #66: Efficient (GROMACS+)CP2K compute resource usage for biomolecular QM/MM

BioExcel Webinar #65: QM/MM Simulation of Fluorescent Proteins and Proton Dynamics