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 …

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 …

StackCPPred: a stacking and pairwise energy content-based prediction of cell-penetrating peptides and their uptake efficiency

X Fu, L Cai, X Zeng, Q Zou - Bioinformatics, 2020 - academic.oup.com
Abstract Motivation Cell-penetrating peptides (CPPs) are a vehicle for transporting into living
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 …

StackACPred: Prediction of anticancer peptides by integrating optimized multiple feature descriptors with stacked ensemble approach

M Arif, S Ahmed, F Ge, M Kabir, YD Khan, DJ Yu… - Chemometrics and …, 2022 - Elsevier
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 …

PredT4SE-stack: prediction of bacterial type IV secreted effectors from protein sequences using a stacked ensemble method

Y **ong, Q Wang, J Yang, X Zhu, DQ Wei - Frontiers in Microbiology, 2018 - frontiersin.org
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 …

Machine learning based restaurant sales forecasting

A Schmidt, MWU Kabir, MT Hoque - Machine Learning and Knowledge …, 2022 - mdpi.com
To encourage proper employee scheduling for managing crew load, restaurants need
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

O Abdin, S Nim, H Wen, PM Kim - Communications biology, 2022 - nature.com
Protein-peptide interactions play a fundamental role in many cellular processes, but remain
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 …

Characterization of intrinsically disordered regions in proteins informed by human genetic diversity

SS Ahmed, ZT Rifat, R Lohia, AJ Campbell… - PLoS Computational …, 2022 - journals.plos.org
All proteomes contain both proteins and polypeptide segments that don't form a defined
three-dimensional structure yet are biologically active—called intrinsically disordered …