Journal of Biomolecular Structure and Dynamics

Cheminformatics-enhanced discovery of therapeutic agents targeting isocitrate lyase in Mycobacterium tuberculosis infections.

Pub Date : 2024-09-18 DOI: 10.1080/07391102.2024.2404145 Aftab Alam,Mohammed H Alqarni,Bader S Alotaibi,Farhan R Khan,Md Shamsher Alam,Faris F Aba Alkhayl,Ali A Alhafi,Turki M Almutairi,Zeyad M Alharbi,Faez Falah Alshehri

Molecular interaction studies of L-proline in water and ethanol at different temperatures using dielectric relaxation, refractive index and DFT methods.

Pub Date : 2024-09-13 DOI: 10.1080/07391102.2024.2402692 K Aiswarya,T Vishwam,T Vamshi Prasad,C Thirmal,K C James Raju

Kaempferol as a novel inhibitor of SARS-CoV-2 RNA-dependent RNA polymerase.

Pub Date : 2024-09-11 DOI: 10.1080/07391102.2024.2402695 Alessandro Medoro,Francesca Benedetti,Mariano Intrieri,Tassadaq Hussain Jafar,Sawan Ali,Truong Tan Trung,Daniela Passarella,Saba Ismail,Davide Zella,Giovanni Scapagnini,Sergio Davinelli