RBPmap: A Tool for Mapping and Predicting the Binding Sites of RNA-Binding Proteins Considering the Motif Environment.
Sign Up to like & getrecommendations! Published in 2022 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1851-6_3
Abstract: RNA-binding proteins (RBPs) play a key role in post-transcriptional regulation via binding to coding and non-coding RNAs. Recent development in experimental technologies, aimed to identify the targets of RBPs, has significantly broadened our knowledge on… read more here.
Keywords: rbpmap; binding proteins; mapping predicting; rna binding ... See more keywords
Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-019-00222-y
Abstract: Computational prediction of protein–ligand interactions is a useful approach that aids the drug discovery process. Two major tasks of computational approaches are to predict the docking pose of a compound in a known binding pocket… read more here.
Keywords: binding poses; challenge; affinity; predicting binding ... See more keywords
Predicting the Binding of Small Molecules to Proteins through Invariant Representation of the Molecular Structure
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.4c00752
Abstract: We present a computational scheme for predicting the ligands that bind to a pocket of a known structure. It is based on the generation of a general abstract representation of the molecules, which is invariant… read more here.
Keywords: molecules proteins; structure; representation; binding small ... See more keywords
Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra06246a
Abstract: Plasmepsins (Plms) are aspartic proteases involved in the degradation of human hemoglobin by P. falciparum and are essential for the survival and growth of the parasite. Therefore, Plm enzymes are reported as an important antimalarial… read more here.
Keywords: predicting binding; selectivity peptidomimetic; insights predicting; binding selectivity ... See more keywords