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Use of molecular docking computational tools in drug discovery
F Stanzione, I Giangreco, JC Cole - Progress in medicinal chemistry, 2021 - Elsevier
Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …
Since first being developed in the 1980s, advancements in the power of computer hardware …
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 …
StackCPPred: a stacking and pairwise energy content-based prediction of cell-penetrating peptides and their uptake efficiency
Abstract Motivation Cell-penetrating peptides (CPPs) are a vehicle for transporting into living
cells pharmacologically active molecules, such as short interfering RNAs, nanoparticles …
cells pharmacologically active molecules, such as short interfering RNAs, nanoparticles …
Accurate prediction of potential druggable proteins based on genetic algorithm and Bagging-SVM ensemble classifier
J Lin, H Chen, S Li, Y Liu, X Li, B Yu - Artificial intelligence in medicine, 2019 - Elsevier
Discovering and accurately locating drug targets is of great significance for the research and
development of new drugs. As a different approach to traditional drug development, the …
development of new drugs. As a different approach to traditional drug development, the …
StackACPred: Prediction of anticancer peptides by integrating optimized multiple feature descriptors with stacked ensemble approach
Anticancer peptides (ACPs) have been emerged as a potential safe therapeutic agent for
treating cancer. Identifying novel ACPs is crucial for understanding deep insight their …
treating cancer. Identifying novel ACPs is crucial for understanding deep insight their …
PredT4SE-stack: prediction of bacterial type IV secreted effectors from protein sequences using a stacked ensemble method
Gram-negative bacteria use various secretion systems to deliver their secreted effectors.
Among them, type IV secretion system exists widely in a variety of bacterial species, and …
Among them, type IV secretion system exists widely in a variety of bacterial species, and …
Machine learning based restaurant sales forecasting
To encourage proper employee scheduling for managing crew load, restaurants need
accurate sales forecasting. This paper proposes a case study on many machine learning …
accurate sales forecasting. This paper proposes a case study on many machine learning …
PepNN: a deep attention model for the identification of peptide binding sites
Protein-peptide interactions play a fundamental role in many cellular processes, but remain
underexplored experimentally and difficult to model computationally. Here, we present …
underexplored experimentally and difficult to model computationally. Here, we present …
Bioactive peptides in dry-cured ham: A comprehensive review of preparation methods, metabolic stability, safety, health benefits, and regulatory frameworks
Y Hu, S **ao, G Zhou, X Chen, B Wang… - Food Research …, 2024 - Elsevier
Dry-cured hams contain abundant bioactive peptides with significant potential for the
development of functional foods. However, the limited bioavailability of food-derived …
development of functional foods. However, the limited bioavailability of food-derived …
Characterization of intrinsically disordered regions in proteins informed by human genetic diversity
All proteomes contain both proteins and polypeptide segments that don't form a defined
three-dimensional structure yet are biologically active—called intrinsically disordered …
three-dimensional structure yet are biologically active—called intrinsically disordered …