A comprehensive review on current advances in peptide drug development and design

ACL Lee, JL Harris, KK Khanna, JH Hong - International journal of …, 2019 - mdpi.com
Protein–protein interactions (PPIs) execute many fundamental cellular functions and have
served as prime drug targets over the last two decades. Interfering intracellular PPIs with …

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 …

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 …

Harnessing protein folding neural networks for peptide–protein docking

T Tsaban, JK Varga, O Avraham, Z Ben-Aharon… - Nature …, 2022 - nature.com
Highly accurate protein structure predictions by deep neural networks such as AlphaFold2
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …

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 …

DeepRank-GNN: a graph neural network framework to learn patterns in protein–protein interfaces

M Réau, N Renaud, LC Xue, AMJJ Bonvin - Bioinformatics, 2023 - academic.oup.com
Motivation Gaining structural insights into the protein–protein interactome is essential to
understand biological phenomena and extract knowledge for rational drug design or protein …

The ClusPro web server for protein–protein docking

D Kozakov, DR Hall, B **a, KA Porter, D Padhorny… - Nature protocols, 2017 - nature.com
Abstract The ClusPro server (https://cluspro. org) is a widely used tool for protein–protein
docking. The server provides a simple home page for basic use, requiring only two files in …

HDOCK: a web server for protein–protein and protein–DNA/RNA docking based on a hybrid strategy

Y Yan, D Zhang, P Zhou, B Li… - Nucleic acids research, 2017 - academic.oup.com
Protein–protein and protein–DNA/RNA interactions play a fundamental role in a variety of
biological processes. Determining the complex structures of these interactions is valuable, in …

New additions to the C lus P ro server motivated by CAPRI

S Vajda, C Yueh, D Beglov, T Bohnuud… - Proteins: Structure …, 2017 - Wiley Online Library
The heavily used protein–protein docking server ClusPro performs three computational
steps as follows:(1) rigid body docking,(2) RMSD based clustering of the 1000 lowest energy …

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

J Moult, K Fidelis, A Kryshtafovych… - Proteins: Structure …, 2018 - Wiley Online Library
This article reports the outcome of the 12th round of Critical Assessment of Structure
Prediction (CASP12), held in 2016. CASP is a community experiment to determine the state …