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Journal of Biomolecular Structure & Dynamics|July 27, 2019
Dodecamers derived from the crystal structure were found in the pre-crystallization solution of the transaminase from the thermophilic bacterium Thermobaculum terrenum by small-angle X-ray scatteringMargarita A Marchenkova, Petr V Konarev, Tatiana V Rakitina, et al.Journal of Biomolecular Structure & Dynamics|July 18, 2019
Understanding co-loading of doxorubicin and camptothecin on graphene and folic acid-conjugated graphene for targeting drug delivery: classical MD simulation and DFT calculationAbutaleb Alinejad, Heidar Raissi, Hassan HashemzadehJournal of Biomolecular Structure & Dynamics|August 21, 2014
Hierarchical sampling for metastable conformers determines biomolecular recognition: the case of malectin and diglucosylated N-glycan interactionsAshalatha Sreshty Mamidi, Avadhesha SuroliaJournal of Biomolecular Structure & Dynamics|July 12, 2014
Monte Carlo loop refinement and virtual screening of the thyroid-stimulating hormone receptor transmembrane domainM Rejwan Ali, Rauf Latif, Terry F Davies, et al.Journal of Biomolecular Structure & Dynamics|September 6, 2014
Distinct molecular features facilitating ice-binding mechanisms in hyperactive antifreeze proteins closely related to an Antarctic sea ice bacteriumRachana Banerjee, Pratim Chakraborti, Rupa Bhowmick, et al.Journal of Biomolecular Structure & Dynamics|September 5, 2014
Crystallographic and modelling studies suggest that the SKICH domains from different protein families share a common Ig-like fold but harbour substantial structural variationsYang Yang, Guan Wang, Xiaolan Huang, et al.Journal of Biomolecular Structure & Dynamics|March 1, 2016
Synthesis and biological evaluation of a new dysprosium(III) complex containing 2,9-dimethyl 1,10-phenanthrolineZohreh Moradi, Mozhgan Khorasani-Motlagh, Meissam NoroozifarJournal of Biomolecular Structure & Dynamics|April 7, 2016
Functional characterization of hypothetical proteins of Mycobacterium tuberculosis with possible esterase/lipase signature: a cumulative in silico and in vitro approachArbind Kumar, Aashish Sharma, Gurkamaljit Kaur, et al.Journal of Biomolecular Structure & Dynamics|June 30, 2016
Drug repurposing for chronic myeloid leukemia: in silico and in vitro investigation of DrugBank database for allosteric Bcr-Abl inhibitorsVivek Kumar Singh, Hsin-Huei Chang, Ching-Chuan Kuo, et al.Journal of Biomolecular Structure & Dynamics|July 5, 2016
Virtual screening, molecular dynamics, and binding free energy calculations on human carbonic anhydrase IX catalytic domain for deciphering potential leadsArun John, Muthukumaran Sivashanmugam, Vetrivel Umashankar, et al.Pageof 932