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Journal of Biomolecular Structure & Dynamics|March 22, 2024
Mitoxantrone 2HCl's adroit activity against cervical cancer replication and maintenance proteins: a multitargeted approachMohammed Ageeli Hakami, Ali Hazazi, Mishal Olayan Alsulami, et al.Journal of Biomolecular Structure & Dynamics|March 20, 2024
Describing the ligandin properties of Plasmodium falciparum and vivax glutathione transferase towards bromosulfophthalein from empirical and computational modelling viewpointsOlalekan Onisuru, Ikechukwu AchilonuJournal of Biomolecular Structure & Dynamics|March 26, 2024
Investigating the structural basis of piperine targeting AKT1 against prostate cancer through in vitro and molecular dynamics simulationsPrakash Nayana, Pavan Gollapalli, Hanumanthappa ManjunathaJournal of Biomolecular Structure & Dynamics|March 23, 2024
Conformational analysis of lipid membrane mimetics modified with Aβ42 peptide by Raman spectroscopy and computer simulationsKahramon Mamatkulov, Siarhei Zavatski, Yersultan Arynbek, et al.Journal of Biomolecular Structure & Dynamics|March 23, 2024
Identification of β-cycloidal-derived mono-carbonyl curcumin analogs as potential interleukin-6 inhibitor to treat wound healing through QSAR, molecular docking, MD simulation, MM-GBSA calculationMd Shaekh Forid, Rajesh B Patil, Miah Roney, et al.Journal of Biomolecular Structure & Dynamics|March 23, 2024
Discovery of small molecule entry inhibitors targeting the linoleic acid binding pocket of SARS-CoV-2 spike proteinRoshny Prasad, Anil Kadam, Vinitha Vinod Padippurackal, et al.Journal of Biomolecular Structure & Dynamics|March 26, 2024
Hematopoietic cell kinase as a nexus for drug repurposing: implications for cancer and HIV therapyMohammad Ali Abdullah Almoyad, Abdulrhman Alsayari, Shadma Wahab, et al.Journal of Biomolecular Structure & Dynamics|March 25, 2024
Synthesis of novel (R)-carvone-tagged thiazolidinone as anticancer leads: characterization, in vitro antiproliferative evaluation and in silico studiesYassine Riadi, Obaid Afzal, Shashank Kumar, et al.Journal of Biomolecular Structure & Dynamics|March 25, 2024
Insights into the selective mechanism of PDE2/9a inhibitors from silico aspectsPengfei Song, Shizhun Wang, Ruiheng Han, et al.Journal of Biomolecular Structure & Dynamics|March 23, 2024
Elucidating the binding mechanisms of GABA and Muscimol as an avenue to discover novel GABA-mimetic small moleculesAbdul Rashid Issahaku, Anke Wilhelm, Marietjie Schutte-Smith, et al.Pageof 935