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A comprehensive review on current advances in peptide drug development and design
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 …
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
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 …
review, we report on two intertwined disciplines in the protein structure prediction field …
The HDOCK server for integrated protein–protein docking
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 …
homology search, template-based modeling, structure prediction, macromolecular docking …
Harnessing protein folding neural networks for peptide–protein docking
Highly accurate protein structure predictions by deep neural networks such as AlphaFold2
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …
Assessment of three‐dimensional RNA structure prediction in CASP15
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 …
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
Motivation Gaining structural insights into the protein–protein interactome is essential to
understand biological phenomena and extract knowledge for rational drug design or protein …
understand biological phenomena and extract knowledge for rational drug design or protein …
The ClusPro web server for protein–protein docking
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 …
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
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 …
biological processes. Determining the complex structures of these interactions is valuable, in …
New additions to the C lus P ro server motivated by CAPRI
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 …
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
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 …
Prediction (CASP12), held in 2016. CASP is a community experiment to determine the state …