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Journal of Biomolecular Structure & Dynamics|August 28, 2023
Three-helix bundle and SH3-type barrels: autonomously stable structural motifs in small and large proteinsKirill Sergeevich Nikolsky, Liudmila Ivanovna Kulikova, Denis Vitalievich Petrovskiy, et al.Journal of Biomolecular Structure & Dynamics|August 28, 2023
Identification of molecular signatures and molecular dynamics simulation of highly deleterious missense variants of key autophagy regulator beclin 1: a computational based approachSargeet Kaur, Jitendraa Vashistt, Harish ChangotraJournal of Biomolecular Structure & Dynamics|September 12, 2023
Computational evaluation of phytochemicals targeting DNA topoisomerase I in Leishmania donovani: molecular docking and molecular dynamics simulation studiesPraffulla Kumar Arya, Pranabesh Mandal, Krishnendu Barik, et al.Journal of Biomolecular Structure & Dynamics|September 15, 2023
Global shape of SvGT, a metal-dependent bacteriocin modifying S/O-HexNActransferase from actinobacteria: c -terminal dimerization modulates the function of this GTYogita Sharma, Shimona Ahlawat, Ashish, et al.Journal of Biomolecular Structure & Dynamics|September 14, 2023
Interactions and conformational changes of annexin A2/p11 heterotetramer models on a membrane: a molecular dynamics studySamuel Lindsay, Libero Bartolotti, Yumin LiJournal of Biomolecular Structure & Dynamics|September 13, 2023
Structural insight into G2019S mutated LRRK2 kinase and brain-penetrant type I inhibitor complex: a molecular dynamics approachAvigyan Naskar, Kousik K Bhanja, Rakesh K Roy, et al.Journal of Biomolecular Structure & Dynamics|August 29, 2023
In-silico modeling of the interplay between APOE4, NLRP3, and ACE2-SPIKE complex in neurodegeneration between Alzheimer and SARS-CoV: implications for understanding pathogenesis and developing therapeutic strategiesSriranjini A S, Ashish Thapliyal, Kumud PantJournal of Biomolecular Structure & Dynamics|August 29, 2023
Predicting the changes in neutralizing antibody interaction with G protein derived from Bangladesh isolates of Nipah virus: molecular dynamics based approachNorine Dsouza, Selvaa Kumar CJournal of Biomolecular Structure & Dynamics|April 13, 2026
Computational and experimental targeting of TraH-TraU interaction in Acinetobacter baumannii inhibits type IV secretion system (T4SS) mediated transfer of the tetracycline resistance geneAshabari Panda, Sayani Sarkar, Anshika Gupta, et al.Journal of Biomolecular Structure & Dynamics|April 17, 2026
Active site groove volume may influence the DD-carboxypeptidase activity of E. coli DacDAnanya Anurag Anand, Anindya Sundar Ghosh, Sintu Kumar Samanta, et al.Pageof 932