Native or Non-Native Protein–Protein Docking Models? Molecular Dynamics to the Rescue
Molecular docking excels at creating a plethora of potential models [...]
Comparative analysis of two paradigm bacteriophytochromes reveals opposite functionalities in two-component signaling
Bacterial phytochrome photoreceptors usually belong to two-component signaling systems which [...]
ISO 23494: Biotechnology – Provenance Information Model for Biological Specimen and Data.
This project aims to develop a comprehensive W3C PROV based provenance information standard intended for the biomedical research domain.
Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations
Here, we report cryo-electron microscopy (cryo-EM) structures of the proton-activated Gloeobacter violaceus ligand-gated ion channel (GLIC) under three pH conditions. Decreased pH was associated with improved resolution and side chain rearrangements at the subunit/domain interface, particularly involving functionally important residues in the β1–β2 and M2–M3 loops.
Integrating quantitative proteomics with accurate genome profiling of transcription factors by greenCUT&RUN
Genome-wide localization of chromatin and transcription regulators can be detected [...]
Enabling the execution of large scale workflows for molecular dynamics simulations
In this paper we present an approach to support biomolecular researchers in the development of complex workflows. Our approach is based on the orchestration of computational building blocks for Molecular Dynamics simulations through an efficient workflow management system that has already been adopted in many scientific fields to run applications on multitudes of computing backends.
