Webinar: PDBe resources to help with starting model selection for molecular dynamics simulations (2024-9-10)
Date: 10 September 2024 Time: 15:00 CEST Registration [...]
Need a new search?
If you didn't find what you were looking for, try a new search!
Phase Space Invaders (ψ)
Phase Space Invaders (ψ) With the convergence of [...]
PMX future development
PMX offers [...]
Past partners
Past Partners [...]
BioExcel Summer School on Biomolecular Simulations 2023
Registration for our Summer School this year is now open! [...]
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations
We present BioExcel Building Blocks Workflows, a web-based graphical user interface (GUI) of fering access to a collection of transversal pre-configured biomolecular simulation workflows assembled with the BioExcel Building Blocks library.
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools
BioBB REST API extends and complements the BioBB library offering programmatic access to the collection of biomolecular simulation tools included in the BioExcel Building Blocks library. Molecular Dynamics setup, docking, structure modeling, free energy simulations, and flexibility analyses are examples of functionalities included in the endpoints collection. All functionalities are accessible through standard REST API calls, voiding the need for tool installation.
Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers
Aptamer selection against novel infections is a complicated and time-consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. This study aims to develop a reliable methodology for a rational aptamer in silico et vitro design.
DeepRank: A deep learning framework for data mining 3D protein-protein interfaces
Three-dimensional (3D) structures of protein complexes provide fundamental information to [...]
