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 …

Recent advances and challenges in protein structure prediction

CX Peng, F Liang, YH Xia, KL Zhao… - Journal of Chemical …, 2023 - ACS Publications
Artificial intelligence has made significant advances in the field of protein structure prediction
in recent years. In particular, DeepMind's end-to-end model, AlphaFold2, has demonstrated …

Assessment of the assessment—All about complexes

G Studer, G Tauriello, T Schwede - Proteins: Structure, Function …, 2023 - Wiley Online Library
Predicting model quality is a fundamental component of any modeling procedure, and blind
assessment of these methods constitutes a crucial aspect of the Critical Assessment of …

The structure assessment web server: for proteins, complexes and more

AM Waterhouse, G Studer, X Robin… - Nucleic Acids …, 2024 - academic.oup.com
The 'structure assessment'web server is a one-stop shop for interactive evaluation and
benchmarking of structural models of macromolecular complexes including proteins and …

PPI3D: a web server for searching, analyzing and modeling protein–protein, protein–peptide and protein–nucleic acid interactions

J Dapkūnas, A Timinskas, K Olechnovič… - Nucleic Acids …, 2024 - academic.oup.com
Abstract Structure-resolved protein interactions with other proteins, peptides and nucleic
acids are key for understanding molecular mechanisms. The PPI3D web server enables …

Breaking the conformational ensemble barrier: Ensemble structure modeling challenges in CASP15

A Kryshtafovych, GT Montelione… - Proteins: Structure …, 2023 - Wiley Online Library
For the first time, the 2022 CASP (Critical Assessment of Structure Prediction) community
experiment included a section on computing multiple conformations for protein and RNA …

Revolutionizing protein–protein interaction prediction with deep learning

J Zhang, J Durham, Q Cong - Current Opinion in Structural Biology, 2024 - Elsevier
Protein–protein interactions (PPIs) are pivotal for driving diverse biological processes, and
any disturbance in these interactions can lead to disease. Thus, the study of PPIs has been …

[HTML][HTML] Apprehensions and emerging solutions in ML-based protein structure prediction

KM Dahlström, TA Salminen - Current Opinion in Structural Biology, 2024 - Elsevier
The three-dimensional structure of proteins determines their function in vital biological
processes. Thus, when the structure is known, the molecular mechanism of protein function …

Integrating Large-Scale Protein Structure Prediction into Human Genetics Research

M Correa Marrero, J Jänes, D Baptista… - Annual Review of …, 2024 - annualreviews.org
The last five years have seen impressive progress in deep learning models applied to
protein research. Most notably, sequence-based structure predictions have seen …

Integrative modeling meets deep learning: Recent advances in modeling protein assemblies

B Shor, D Schneidman-Duhovny - Current Opinion in Structural Biology, 2024 - Elsevier
Recent progress in protein structure prediction based on deep learning revolutionized the
field of Structural Biology. Beyond single proteins, it also enabled high-throughput prediction …