Chemical complexity challenge: Is multi‐instance machine learning a solution?

D Zankov, T Madzhidov, A Varnek… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
Molecules are complex dynamic objects that can exist in different molecular forms
(conformations, tautomers, stereoisomers, protonation states, etc.) and often it is not known …

DNA–protein interaction studies: a historical and comparative analysis

RAC Ferraz, ALG Lopes, JAF da Silva, DFV Moreira… - Plant Methods, 2021 - Springer
DNA–protein interactions are essential for several molecular and cellular mechanisms, such
as transcription, transcriptional regulation, DNA modifications, among others. For many …

HybridDBRpred: improved sequence-based prediction of DNA-binding amino acids using annotations from structured complexes and disordered proteins

J Zhang, S Basu, L Kurgan - Nucleic Acids Research, 2024 - academic.oup.com
Current predictors of DNA-binding residues (DBRs) from protein sequences belong to two
distinct groups, those trained on binding annotations extracted from structured protein-DNA …

A deep learning-based method for the prediction of DNA interacting residues in a protein

S Patiyal, A Dhall, GPS Raghava - Briefings in Bioinformatics, 2022 - academic.oup.com
DNA–protein interaction is one of the most crucial interactions in the biological system,
which decides the fate of many processes such as transcription, regulation and splicing of …

Protein–nucleic acid interactions for RNA polymerase II elongation factors by molecular dynamics simulations

A Gallardo, BM Bogart, B Dutagaci - Journal of Chemical …, 2022 - ACS Publications
RNA polymerase II (Pol II) forms a complex with elongation factors to proceed to the
elongation stage of the transcription process. In this work, we studied the elongation factor …

Lambda CI binding to related phage operator sequences validates alignment algorithm and highlights the importance of overlooked bonds

J Sedhom, LA Solomon - Genes, 2023 - mdpi.com
Bacteriophage λ's CI repressor protein controls a genetic switch between the virus's
lysogenic and lytic lifecycles, in part, by selectively binding to six different DNA sequences …

qNABpredict: Quick, accurate, and taxonomy‐aware sequence‐based prediction of content of nucleic acid binding amino acids

Z Wu, S Basu, X Wu, L Kurgan - Protein Science, 2023 - Wiley Online Library
Protein sequence‐based predictors of nucleic acid (NA)‐binding include methods that
predict NA‐binding proteins and NA‐binding residues. The residue‐level tools produce …

DBpred: A deep learning method for the prediction of DNA interacting residues in protein sequences

S Patiyal, A Dhall, GPS Raghava - BioRxiv, 2021 - biorxiv.org
DNA-protein interaction is one of the most crucial interactions in the biological system, which
decide the fate of many processes such as transcription, regulation of gene expression …

Alignment of major-groove hydrogen bond arrays uncovers shared information between different DNA sequences that bind the same protein

J Sedhom, J Kinser, LA Solomon - NAR Genomics and …, 2022 - academic.oup.com
Protein–DNA binding is of a great interest due to its importance in many biological
processes. Previous studies have presented many factors responsible for the recognition …

Discovery of Virus-Host interactions using bioinformatic tools

C Marques-Pereira, M Pires, IS Moreira - Methods in Cell Biology, 2022 - Elsevier
Viruses are a diverse biological group capable of infecting several hosts such as bacteria,
plants, and animals, including humans. Viral infections constitute a threat to the human …