Published October 3, 2020
| Version v2
Dataset
Open
Dataset for DISC reconstruction based on novel approach to protein-protein docking
Authors/Creators
- 1. University of Gothenburg, Sweden
Description
Coordinates of protein-protein complexes involved in the CD95 based DISC formation, Homology models along with MD simulation trajectories.
Homology modeling: YASARA
Model quality assessment: MOE software and QMEAN sever
Protein-protein docking: HADDOCK, ClusPro, ZDOCK, GRAMMX, HDOCK
RMSD-based Clustering: Meastro Schrodinger
MD simulation: Desmond Schrodinger
Alanine scanning and MMGBSA: Maestro Schrodinger
Notes
Funding from the Vinnova Seal-of-Excellence programme 2019-02205 (CaTheDRA) is gratefully acknowledged (SJM). Sven and Lilly Lawski Foundation are gratefully acknowledged for a postdoctoral fellowship to MT, and MSCA-RISE 777995 "DISCOVER" for funding of secondments. The Faculty of Science at the University of Gothenburg, the Swedish Science Research Council (VR; grant number 2019-3684), and MSCA-RISE 734749 "INSPIRED" are gratefully acknowledged for financial support (LAE) and the Swedish National Infrastructure for Computing for allocations of computing time at supercomputing center C3SE, in part funded by the Swedish Research Council through grant agreement no. 2018-05973.