A Perspective on the Prospective Use of AI in Protein Structure Prediction

R Versini, S Sritharan, B Aykac Fas… - Journal of Chemical …, 2023 - ACS Publications
AlphaFold2 (AF2) and RoseTTaFold (RF) have revolutionized structural biology, serving as
highly reliable and effective methods for predicting protein structures. This article explores …

Computational Approaches to Predict Protein–Protein Interactions in Crowded Cellular Environments

G Grassmann, M Miotto, F Desantis… - Chemical …, 2024 - ACS Publications
Investigating protein–protein interactions is crucial for understanding cellular biological
processes because proteins often function within molecular complexes rather than in …

AggreProt: a web server for predicting and engineering aggregation prone regions in proteins

J Planas-Iglesias, S Borko, J Swiatkowski… - Nucleic Acids …, 2024 - academic.oup.com
Recombinant proteins play pivotal roles in numerous applications including industrial
biocatalysts or therapeutics. Despite the recent progress in computational protein structure …

The impact of AI‐based modeling on the accuracy of protein assembly prediction: Insights from CASP15

B Ozden, A Kryshtafovych… - … : Structure, Function, and …, 2023 - Wiley Online Library
In CASP15, 87 predictors submitted around 11 000 models on 41 assembly targets. The
community demonstrated exceptional performance in overall fold and interface contact …

Impact of AlphaFold on structure prediction of protein complexes: the CASP15‐CAPRI experiment

MF Lensink, G Brysbaert, N Raouraoua… - Proteins: Structure …, 2023 - Wiley Online Library
We present the results for CAPRI Round 54, the 5th joint CASP‐CAPRI protein assembly
prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo …

[HTML][HTML] In silico structural analysis exploring conformational folding of protein variants in Alzheimer's disease

E Efraimidis, MG Krokidis, TP Exarchos… - International Journal of …, 2023 - mdpi.com
Accurate protein structure prediction using computational methods remains a challenge in
molecular biology. Recent advances in AI-powered algorithms provide a transformative …

[HTML][HTML] CAPRI-Q: The CAPRI resource evaluating the quality of predicted structures of protein complexes

KW Collins, MM Copeland, G Brysbaert… - Journal of Molecular …, 2024 - Elsevier
Protein interactions are essential for cellular processes. In recent years there has been
significant progress in computational prediction of 3D structures of individual protein chains …

Modulation of Krüppel-like factors (KLFs) interaction with their binding partners in cancers through acetylation and phosphorylation

K Jha, A Kumar, K Bhatnagar, A Patra… - … et Biophysica Acta (BBA …, 2023 - Elsevier
Post-translational modifications (PTMs) of transcription factors regulate transcriptional
activity and play a key role in essentially all biological processes and generate …

Prediction of aggregation prone regions in proteins using deep neural networks and their suppression by computational design

V Cima, A Kunka, E Grakova, J Planas-Iglesias… - bioRxiv, 2024 - biorxiv.org
Protein aggregation is a hallmark of multiple neurodegenerative diseases and a great
hindrance in recombinant protein production, handling, and storage. Identification of …

Assessing the functional impact of protein binding site definition

P Nandigrami, A Fiser - Protein Science, 2024 - Wiley Online Library
Many biomedical applications, such as classification of binding specificities or
bioengineering, depend on the accurate definition of protein binding interfaces. Depending …