Ligand-induced Conformational Selection Predicts the Selectivity of Cysteine Protease Inhibitors - Inputs and Analysis
DOI10.5281/zenodo.3523367Zenodo3523367MaRDI QIDQ6702456FDOQ6702456
Dataset published at Zenodo repository.
Andrei Leitão, Carlos Alberto Montanari, Geraldo Rodrigues Sartori, Charles A. Laughton
Publication date: 1 November 2019
Copyright license: Creative Commons Attribution 4.0 International
Supplementary data of Ligand-induced Conformational Selection Predicts the Selectivity of Cysteine Protease Inhibitors paper. This dataset consists ofthe parametrized ligand (covalent and noncovalent form of ICR, ICK, ICL, IKR) and complexes files, sample of input files usedfor Molecular dynamics simulationsand analysis procedures, and the raw data ofresults.
This page was built for dataset: Ligand-induced Conformational Selection Predicts the Selectivity of Cysteine Protease Inhibitors - Inputs and Analysis
