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Journal of Biomolecular Structure & Dynamics|November 23, 2020
The comparative analysis of the properties and structures of purine nucleoside phosphorylases from thermophilic bacterium Thermus thermophilus HB27Vladimir I Timofeev, Ilya V Fateev, Maria A Kostromina, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2020
In silico screening predicts common cold drug Dextromethorphan along with Prednisolone and Dexamethasone can be effective against novel Coronavirus disease (COVID-19)Indrani Sarkar, Arnab SenJournal of Biomolecular Structure & Dynamics|November 23, 2020
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitorsAnkit Uniyal, Manoj Kumar Mahapatra, Vinod Tiwari, et al.Journal of Biomolecular Structure & Dynamics|November 24, 2020
Methionine 58 is a key residue in the modulation of BmK scorpion toxin AGP-SYPU2 activity through in silico and in vivo studiesYong Cui, Ting Wang, Zhihui Hao, et al.Journal of Biomolecular Structure & Dynamics|November 3, 2020
Multi-conformational frame from molecular dynamics as a structure-based pharmacophore model for mapping, screening and identifying ligands against PPAR-γ: a new protocol to develop promising candidatesP Prabitha, Dhivya Shanmugarajan, T Durai Ananda Kumar, et al.Journal of Biomolecular Structure & Dynamics|November 4, 2020
Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain-human angiotensin-converting enzyme 2 interface to combat SARS-CoV-2Pavan Gollapalli, Sharath B S, Hrvoje Rimac, et al.Journal of Biomolecular Structure & Dynamics|November 4, 2020
Biological effects and molecular docking studies of Catechin 5-O-gallate: antioxidant, anticholinergics, antiepileptic and antidiabetic potentialsParham Taslimi, Umit M Kocyigit, Burak Tüzün, et al.Journal of Biomolecular Structure & Dynamics|February 19, 2020
Spectroscopic study of interaction of various GC-content DNA with Hoechst 33258 depending on Na+ concentrationPoghos O Vardevanyan, Marine A Parsadanyan, Ara P Antonyan, et al.Journal of Biomolecular Structure & Dynamics|February 19, 2020
Effect of periphery cationic substituents of porphyrin on the B-Z transition of poly[d(A-T)2], poly[d(G-C)2] and their binding modesNayoung Kwon, Ji Hoon Han, Seog K Kim, et al.Journal of Biomolecular Structure & Dynamics|February 25, 2020
Adjacent dimer epitope of envelope protein as an important region for Zika virus serum neutralization: a computational investigationCarlos Alessandro Fuzo, Luiz Felipe Lemes de Araujo, Rafael de Souza Pontes, et al.Pageof 935