Data to reporoduce simualtion results presented in the paper "CondenSimAdapter: A versatile builder for multiscale simulations of protein condensates with diverse coarse-grained and all-atom forcefiel
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
Additional file 1. QAFFP construction. Statistics (ligand count and quality criteria $$q^{2}$$ q 2 and $$R_{0}^{'2}$$ R 0 ′ 2 ) of all 1360 trained models. Each model is given by the target ChEMBL ID
Supplementary dataset in support of the manuscript "Influence of beta-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as well as
