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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 …
Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
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 …
Independent se (3)-equivariant models for end-to-end rigid protein docking
Protein complex formation is a central problem in biology, being involved in most of the cell's
processes, and essential for applications, eg drug design or protein engineering. We tackle …
processes, and essential for applications, eg drug design or protein engineering. We tackle …
HawkDock: a web server to predict and analyze the protein–protein complex based on computational docking and MM/GBSA
Protein–protein interactions (PPIs) play an important role in the different functions of cells,
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
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 …
Computational approaches to therapeutic antibody design: established methods and emerging trends
Antibodies are proteins that recognize the molecular surfaces of potentially noxious
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …
GRAMM web server for protein docking
Prediction of the structure of protein complexes by docking methods is a well-established
research field. The intermolecular energy landscapes in protein–protein interactions can be …
research field. The intermolecular energy landscapes in protein–protein interactions can be …
Diffdock-pp: Rigid protein-protein docking with diffusion models
Understanding how proteins structurally interact is crucial to modern biology, with
applications in drug discovery and protein design. Recent machine learning methods have …
applications in drug discovery and protein design. Recent machine learning methods have …