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Journal of Chemical Theory and Computation|December 22, 2016
Predicting the Kinetics of RNA Oligonucleotides Using Markov State ModelsGiovanni Pinamonti, Jianbo Zhao, David E Condon, et al.Plos Computational Biology|August 7, 2024
Molecular dynamics simulations reveal how vinculin refolds partially unfolded talin rod helices to stabilize them against mechanical forceVasyl V Mykuliak, Rolle Rahikainen, Neil J Ball, et al.Nucleic Acids Research|October 4, 2015
Hairpins participating in folding of human telomeric sequence quadruplexes studied by standard and T-REMD simulationsPetr Stadlbauer, Petra Kührová, Pavel Banáš, et al.Journal of the American Chemical Society|February 6, 2023
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-MotifsIsrael Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, et al.Nanoscale|October 28, 2022
Molecular states and spin crossover of hemin studied by DNA origami enabled single-molecule surface-enhanced Raman scatteringAnushree Dutta, Kosti Tapio, Antonio Suma, et al.Journal of Chemical Information and Modeling|May 1, 2023
Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular SimulationsZhengyue Zhang, Jiří Šponer, Giovanni Bussi, et al.Biorxiv : the Preprint Server for Biology|February 27, 2026
pH-dependent allosteric remodeling of a bacterial riboswitch couples alkaline activation to metal sensingDanea Palmer, Adrien Chauvier, Tomás F D Silva, et al.Biochimica Et Biophysica Acta. General Subjects|December 17, 2016
Folding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studiesJiří Šponer, Giovanni Bussi, Petr Stadlbauer, et al.Journal of Medicinal Chemistry|September 2, 2009
Automated docking screens: a feasibility studyJohn J Irwin, Brian K Shoichet, Michael M Mysinger, et al.Bioorganic & Medicinal Chemistry|August 16, 2006
Design, synthesis, and biological evaluation of substituted 2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamine related compounds as fructose-1,6-bisphosphatase inhibitorsMichela Rosini, Francesca Mancini, Andrea Tarozzi, et al.Pageof 12