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Journal of Biomolecular Structure & Dynamics|October 11, 2023
Hypoglycemic activity of Syzygium cumini (L.) Skeels seed extracts: an approach to in vitro, in vivo, and in silico studiesApsara Kavital, M B Hiremath, A H M Vishwanath Swamy, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2023
Evaluation of the pH effect on complex formation between bovine β-lactoglobulin and aflatoxin M1: a molecular dynamic simulation and molecular docking studyJiménez-Pérez Carlos, Gómez-Castro Carlos, Alatorre-Santamaría Sergio, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2023
Exploring the dark side of tertiary and quaternary structure dynamics in MtbFBPaseIIGabriel Luís Cardoso Greco, Natanael Segretti, Celerino Abad-Zapatero, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2023
Exploring bixin from Bixa orellana L. seeds: quantification and in silico insights into its anti-cancer potentialKaviyapriya Muthusamy, Gnanam Ramasamy, Caroline Ravikumar, et al.Journal of Biomolecular Structure & Dynamics|August 31, 2023
Assessing the potential of rosary pea (Abrus precatorius L.) derived aqueous seed extracts as anticancer agents and their phytoconstituents as COX-2 inhibitor: an in-vitro and in-silico approachAmritpal Kaur, Gagandeep Singh, Yash Sharma, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2023
Structure-based virtual screening of natural compounds against wild and mutant (R1155K, A1156T and D1168A) NS3-4A protease of Hepatitis C virusMahesh Samantaray, Ramya Pattabiraman, T P Krishna Murthy, et al.Journal of Biomolecular Structure & Dynamics|August 31, 2023
Categorization of hotspots into three types - weak, moderate and strong to distinguish protein-protein versus protein-peptide interactionsKiran Kumar A, R S RathoreJournal of Biomolecular Structure & Dynamics|September 1, 2023
Withania somnifera extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by Helicobacter pylori and Epstein Barr virusDharmendra Kashyap, Rajarshi Roy, Nidhi Varshney, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2023
Molecular docking and molecular dynamics studies of natural products unravel potential inhibitors against OmpA of Acinetobacter baumanniiSiva Singothu, Namrata Devsani, Pathan Jahidha Begum, et al.Journal of Biomolecular Structure & Dynamics|September 1, 2023
Changes in free energy barrier for water permeation by stretch-induced phase transitions in phospholipid/cholesterol bilayersTaiki Shigematsu, Kenichiro KoshiyamaPageof 932