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Journal of Biomolecular Structure & Dynamics|December 21, 2019
Small angle X-ray scattering based structure, modeling and molecular dynamics analyses of family 43 glycoside hydrolase α-L-arabinofuranosidase from Clostridium thermocellumKedar Sharma, Carlos M G A Fontes, Shabir Najmudin, et al.Journal of Biomolecular Structure & Dynamics|June 28, 2021
Synthesis, biological evaluation and molecular dynamics studies of oxadiazine derivatives as potential anti-hepatotoxic agentsSaleem Akbar, Subham Das, Ashif Iqubal, et al.Journal of Biomolecular Structure & Dynamics|June 21, 2021
Screening of potential bio-molecules from Moringa olifera against SARS-CoV-2 main protease using computational approachesShalini Mathpal, Priyanka Sharma, Tushar Joshi, et al.Journal of Biomolecular Structure & Dynamics|June 21, 2021
Periplaneta americana L. a potential source of traditional medicine: chemometric analysis, in vitro and in silico studySuchismeeta Behera, Amulyaratna Behera, Suman Kumar Mekap, et al.Journal of Biomolecular Structure & Dynamics|June 22, 2021
Comparative genomics of Bordetella pertussis and prediction of new vaccines and drug targetsAndrei G Felice, Leonardo N Q Santos, Ian Kolossowski, et al.Journal of Biomolecular Structure & Dynamics|June 24, 2021
Absorption of daunorubicin and etoposide drugs by hydroxylated and carboxylated carbon nanotube for drug delivery: theoretical and experimental studiesSara Eskandari, Abolfazl Barzegar, Karim MahnamJournal of Biomolecular Structure & Dynamics|May 11, 2022
Chemical complementarity between immune receptor CDR3s and candidate cancer antigens correlating with reduced survival: evidence for outcome mitigation with corticosteroid treatmentsAnishaa R Patel, Dhruv N Patel, Yaping N Tu, et al.Journal of Biomolecular Structure & Dynamics|May 11, 2022
Inside the cracked kernel: establishing the molecular basis of AMG510 and MRTX849 in destabilising KRASG12C mutant switch I and II in cancer treatmentAbdul Rashid Issahaku, Elliasu Y Salifu, Mahmoud E S SolimanJournal of Biomolecular Structure & Dynamics|June 2, 2022
Identification and validation of potent inhibitor of Escherichia coli DHFR from MMV pathogen boxShingini Sharma, Rashmi Tyagi, Mitul Srivastava, et al.Journal of Biomolecular Structure & Dynamics|June 1, 2022
Drug repurposing against the RNA-dependent RNA polymerase domain of dengue serotype 3 by virtual screening and molecular dynamics simulationsAditi Gangopadhyay, Achintya SahaPageof 931