Databases, Data, and Software

Data associated to publications

Padanyi et al., submitted, Aug 2021 Nanomechanics combined with HDX reveal allosteric drug binding sites of CFTR NBD1 coming soon...
Nagy et al. 2020, CMLS Input files
See associated movies here.
Mozner et al. Cells 2019 Cellular Processing of the ABCG2 Transporter-Potential Effects on Gout and Drug Metabolism ELM results
MD parameter files
Farkas et al. CMLS 2019
Discovering the chloride pathway in the CFTR channel
Files with detailed configuration parameters of simulations and calculations
Laszlo et al. PLOS One 2016
Jump into a New Fold-A Homology Based Model for the ABCG2/BCRP Multidrug Transporter
The ABCG fold
Szollosi et al. PLOS One 2016
Access Path to the Ligand Binding Pocket May Play a Role in Xenobiotics Selection by AhR
AhR ligand recognition
Szollosi et al. PLOS One 2014
Discrete molecular dynamics can predict helical prestructured motifs in disordered proteins
Predicting PreSMo using DMD


Software, Tools