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Journal of Biomolecular Structure & Dynamics|September 10, 2019
The guanidiniocarbonylpyrrole-fluorophore conjugates as theragnostic tools for dipeptidyl peptidase III monitoring and inhibitionMirsada Ćehić, Josipa Suć Sajko, Zrinka Karačić, et al.Journal of Biomolecular Structure & Dynamics|September 10, 2019
Identification and evaluation of glutathione conjugate gamma-l-glutamyl-l-cysteine for improved drug delivery to the brainSaman Fatima, Taj Mohammad, Deeba Shamim Jairajpuri, et al.Journal of Biomolecular Structure & Dynamics|September 7, 2019
Precise design of highly isoform-selective p21-activated kinase 4 inhibitors: computational insights into the selectivity mechanism through molecular dynamics simulation and binding free energy calculationYuan Su, Peilu Song, Hanxun Wang, et al.Journal of Biomolecular Structure & Dynamics|August 22, 2019
Neighboring base sequence effect on DNA damageYoung-Ae Lee, Ha Young Cho, Seog K KimJournal of Biomolecular Structure & Dynamics|March 8, 2021
Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2Shiv Rakesh Naik, Prashant Bharadwaj, Nadia Dingelstad, et al.Journal of Biomolecular Structure & Dynamics|February 11, 2005
A computational analysis on the specificity of interactions between histidine kinases and response regulatorsDebashis Mukhopadhyay, Kottayil I VarugheseJournal of Biomolecular Structure & Dynamics|February 11, 2005
Molecular dynamics simulations of complexes between wild-type and mutant anthrax protective antigen variants and a model anthrax toxin receptorLinsey Stiles, Donald J NelsonJournal of Biomolecular Structure & Dynamics|February 11, 2005
Sequence structure of van der Waals locks in proteinsElik Aharonovsky, Edward N TrifonovJournal of Biomolecular Structure & Dynamics|February 11, 2005
The role of electrostatic interaction in triggering the unraveling of stable helix 1 in normal prion protein. A molecular dynamics simulation investigationHong-Fang Ji, Hong-Yu Zhang, Liang ShenJournal of Biomolecular Structure & Dynamics|February 11, 2005
Homology modeling of a transcriptional regulator SoxR of the Lithotrophic sulfur oxidation (Sox) operon in alpha-proteobacteriaAngshuman Bagchi, Debjani Roy, Pradosh RoyPageof 935