Critical assessment of methods of protein structure prediction (CASP)—Round XIII

A Kryshtafovych, T Schwede, M Topf… - Proteins: Structure …, 2019 - Wiley Online Library
CASP (critical assessment of structure prediction) assesses the state of the art in modeling
protein structure from amino acid sequence. The most recent experiment (CASP13 held in …

Critical assessment of methods for predicting the 3D structure of proteins and protein complexes

SJ Wodak, S Vajda, MF Lensink… - Annual review of …, 2023 - annualreviews.org
Advances in a scientific discipline are often measured by small, incremental steps. In this
review, we report on two intertwined disciplines in the protein structure prediction field …

Improved prediction of protein-protein interactions using AlphaFold2

P Bryant, G Pozzati, A Elofsson - Nature communications, 2022 - nature.com
Predicting the structure of interacting protein chains is a fundamental step towards
understanding protein function. Unfortunately, no computational method can produce …

The HDOCK server for integrated protein–protein docking

Y Yan, H Tao, J He, SY Huang - Nature protocols, 2020 - nature.com
Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …

Assessment of three‐dimensional RNA structure prediction in CASP15

R Das, RC Kretsch, AJ Simpkin… - Proteins: Structure …, 2023 - Wiley Online Library
The prediction of RNA three‐dimensional structures remains an unsolved problem. Here, we
report assessments of RNA structure predictions in CASP15, the first CASP exercise that …

Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment

MF Lensink, G Brysbaert, T Mauri… - Proteins: Structure …, 2021 - Wiley Online Library
We present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of twelve targets, including six dimers …

Performance and its limits in rigid body protein-protein docking

IT Desta, KA Porter, B **a, D Kozakov, S Vajda - Structure, 2020 - cell.com
The development of fast Fourier transform (FFT) algorithms enabled the sampling of billions
of complex conformations and thus revolutionized protein-protein docking. FFT-based …

Protein–protein contact prediction by geometric triangle-aware protein language models

P Lin, H Tao, H Li, SY Huang - Nature Machine Intelligence, 2023 - nature.com
Abstract Information regarding the residue–residue distance between interacting proteins is
important for modelling the structures of protein complexes, as well as being valuable for …

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 …

Enhancing alphafold-multimer-based protein complex structure prediction with MULTICOM in CASP15

J Liu, Z Guo, T Wu, RS Roy, F Quadir, C Chen… - Communications …, 2023 - nature.com
Abstract To enhance the AlphaFold-Multimer-based protein complex structure prediction, we
developed a quaternary structure prediction system (MULTICOM) to improve the input fed to …