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Molecular Diversity|August 8, 2023
Development and validation of machine learning models for the prediction of SH-2 containing protein tyrosine phosphatase 2 inhibitorsNilanjan Adhikari, Senthil Raja Ayyannan
Molecular Diversity|August 11, 2023
A green one-pot synthetic protocol of hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one derivatives: molecular docking, ADMET, anticancer and antimicrobial studiesHarsh D Trivedi, Bonny Y Patel, Sanjay D Hadiyal, et al.
Molecular Diversity|August 25, 2023
Review and perspective on bioinformatics tools using machine learning and deep learning for predicting antiviral peptidesNicolás Lefin, Lisandra Herrera-Belén, Jorge G Farias, et al.
Molecular Diversity|August 14, 2023
Identification of natural potent inhibitors against Mycobacterium tuberculosis isocitrate lyase: an in silico studyAli A Rabaan, Muhammad A Halwani, Mohammed Garout, et al.
Molecular Diversity|July 31, 2023
Computational biology-based study of the molecular mechanism of spermidine amelioration of acute pancreatitisYan Shen, Hongtao Duan, Lu Yuan, et al.
Molecular Diversity|September 27, 2023
Breaking the 'don't eat me' signal: in silico design of CD47-directed peptides for cancer immunotherapyKapil Laddha, M Elizabeth Sobhia
Molecular Diversity|September 25, 2023
Three finger toxins of elapids: structure, function, clinical applications and its inhibitorsKashinath Hiremath, Jagadeesh Dodakallanavar, Ganesh H Sampat, et al.
Molecular Diversity|September 21, 2023
An insight on medicinal attributes of 1,2,3- and 1,2,4-triazole derivatives as alpha-amylase and alpha-glucosidase inhibitorsAnushka Sharma, Rahul Dubey, Ritu Bhupal, et al.
Molecular Diversity|September 21, 2023
QSAR analysis of five generations of cephalosporins to establish the structural basis of activity against methicillin-resistant and methicillin-sensitive Staphylococcus aureusJessica R Morán-Díaz, Francisco Neveros-Juárez, Mónica Griselda Arellano-Mendoza, et al.
Molecular Diversity|September 22, 2023
Emodin derivatives as promising multi-aspect intervention agents for amyloid aggregation: molecular docking/dynamics simulation, bioactivities evaluation, and cytoprotectionRui Shen, Wenshuang Zhao, Xiangyu Li, et al.
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