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Journal of Biomolecular Structure & Dynamics|August 5, 2022
DPP-4 inhibition mediated antidiabetic potential of phytoconstituents of an aqueous fruit extract of Withania coagulans (Stocks) Dunal: in-silico, in-vitro and in-vivo assessmentsPramod Kumar, Heera Ram, Chandra Kala, et al.Journal of Biomolecular Structure & Dynamics|August 9, 2022
Seasonal variation of the composition of essential oils from Piper cernuum Vell and Piper rivinoides Kunth, ADMET study, DFT calculations, molecular docking and dynamics studies of major components as potent inhibitors of the heterodimer methyltransferase complex NSP16-NSP10 SARS COV-2 proteinAntonio Linkoln Alves Borges Leal, Camila Fonseca Bezerra, Andressa Kelly Ferreira E Silva, et al.Journal of Biomolecular Structure & Dynamics|August 9, 2022
Binding energy analysis and molecular dynamic simulation studies of the designed orally active, non-toxic GABARAP modulatorsMegha P Nambiar, N Ashwanikumar, Anakuthil Anoop, et al.Journal of Biomolecular Structure & Dynamics|August 10, 2022
An exploration on the topologies of SARS-CoV-2/human protein-protein interaction networkA A Navish, R UthayakumarJournal of Biomolecular Structure & Dynamics|August 24, 2022
Molecular docking study on vitamin D supplements to understand their interaction with VDR-RXRα heterodimer and VDRE of TAGAP geneM Shri Preethi, K Premkumar, S Asha DeviJournal of Biomolecular Structure & Dynamics|March 17, 2023
Investigation of the dual role of acyl phloroglucinols as a new hope for antibacterial and anti-SARS-CoV-2 agents employing integrated in vitro and multi-phase in silico approachesWahyu Eko Prasetyo, Triana Kusumaningsih, Bram Triadmojo, et al.Journal of Biomolecular Structure & Dynamics|March 17, 2023
Ensemble-based molecular docking and spectrofluorometric analysis of interaction between cytotoxin and tumor necrosis factor receptor 1Nurhamimah Misuan, Saharuddin Mohamad, Thibault Tubiana, et al.Journal of Biomolecular Structure & Dynamics|March 17, 2023
Hypoglycemic effect of Coffea arabica leaf extracts and major bioactive constituentsG O Nascimento, S P D Marques, C E G Maia, et al.Journal of Biomolecular Structure & Dynamics|March 17, 2023
Molecular analyses of the C-terminal CRAF variants associated with cardiomyopathy reveal their opposing impacts on the active conformation of the kinase domainSaeideh Nakhaei-Rad, Fatemeh Janatifard, Radovan Dvorsky, et al.Journal of Biomolecular Structure & Dynamics|March 17, 2023
α-Amylase inhibitory potential of Thunbergia mysorensis leaves extract and bioactive compounds by in vitro and computational approachN R Kokila, B Mahesh, Ramith Ramu, et al.Pageof 935