An improved DNA-binding hot spot residues prediction method by exploring interfacial neighbor properties
Sign Up to like & getrecommendations! Published in 2021 at "BMC Bioinformatics"
DOI: 10.1186/s12859-020-03871-1
Abstract: Background DNA-binding hot spots are dominant and fundamental residues that contribute most of the binding free energy yet accounting for a small portion of protein–DNA interfaces. As experimental methods for identifying hot spots are time-consuming… read more here.
Keywords: spot residues; hot spot; prediction; interfacial neighbor ... See more keywords
Identifying the Hot Spot Residues of the SARS-CoV-2 Main Protease Using MM-PBSA and Multiple Force Fields
Sign Up to like & getrecommendations! Published in 2021 at "Life"
DOI: 10.3390/life12010054
Abstract: In this study, we investigated the binding affinities between the main protease of SARS-CoV-2 virus (Mpro) and its various ligands to identify the hot spot residues of the protease. To benchmark the influence of various… read more here.
Keywords: sars cov; force fields; hot spot; spot residues ... See more keywords
Tetrasubstituted Pyrrole Derivative Mimetics of Protein–Protein Interaction Hot-Spot Residues: A Promising Class of Anticancer Agents Targeting Melanoma Cells
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28104161
Abstract: A new series of tetrasubstituted pyrrole derivatives (TSPs) was synthesized based on a previously developed hypothesis on their ability to mimic hydrophobic protein motifs. The resulting new TSPs were endowed with a significant toxicity against… read more here.
Keywords: melanoma; tetrasubstituted pyrrole; hot spot; spot residues ... See more keywords