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Journal of Biomolecular Structure & Dynamics|February 1, 1990
Interaction of purine nucleotides with inert paramagnetic Cr(III) probes evaluated by NMR relaxation effects. Molecular mechanics calculations on Cr(III) and Co(III) polyphosphate complexesR Cini, G Giorgi, F Laschi, et al.
Journal of Biomolecular Structure & Dynamics|February 1, 1990
Base pair opening pathways in B-DNAJ Ramstein, R Lavery
Journal of Biomolecular Structure & Dynamics|February 1, 1990
Thermodynamic modeling of internal equilibria involved in the activation of trypsinogenM Coletta, P Ascenzi, L Bravin, et al.
Journal of Biomolecular Structure & Dynamics|February 1, 1990
Distribution of charged residues stabilizes individual helices in myoglobinsN R Kallenbach, M Lu, N Vasant Kumar, et al.
Journal of Biomolecular Structure & Dynamics|February 24, 2015
Insights into molecular interactions between CaM and its inhibitors from molecular dynamics simulations and experimental dataMartin González-Andrade, Rogelio Rodríguez-Sotres, Abraham Madariaga-Mazón, et al.
Journal of Biomolecular Structure & Dynamics|May 24, 2014
Protonation and deprotonation enthalpies of alloxan and implications for the structure and energy of its complexes with water: a computational studyBasmah H Allehyani, Shaaban A Elroby, Saadullah G Aziz, et al.
Journal of Biomolecular Structure & Dynamics|June 17, 2014
Conformational switch of insulin-binding aptamer into G-quadruplex induced by K⁺ and Na⁺: an experimental and theoretical approachA Verdian-Doghaei, M R Housaindokht, M R Bozorgmehr, et al.
Journal of Biomolecular Structure & Dynamics|May 22, 2023
Identification of potent anti-fibrinolytic compounds against plasminogen and tissue-type plasminogen activator employing in silico approachesSuparna Banerjee, Yeshwanth Mahesh, Dhamodharan Prabhu, et al.
Journal of Biomolecular Structure & Dynamics|May 22, 2023
Identification of IL-2 inducible tyrosine kinase inhibitors by quantum mechanics and ligand based virtual screening approachesAlamgir Khan, Komal Zia, Salman Ali Khan, et al.
Journal of Biomolecular Structure & Dynamics|May 22, 2023
Discovery of novel PARP-1 inhibitors using tandem in silico studies: integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approachAayushi Bhatnagar, Virendra Nath, Neeraj Kumar, et al.
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