검색결과 : 104건
| No. | Article |
|---|---|
| 1 |
Phosphorothioate Substitutions in RNA Structure Studied by Molecular Dynamics Simulations, QM/MM Calculations, and NMR Experiments Zhang ZY, Vogele J, Mrazikova K, Kruse H, Cang XH, Wohnert J, Krepl M, Sponer J Journal of Physical Chemistry B, 125(3), 825, 2021 |
| 2 |
Electric-Field-Induced Effects on the Dipole Moment and Vibrational Modes of the Centrosymmetric Indigo Molecule Nardo VM, Cassone G, Ponterio RC, Saija F, Sponer J, Tommasini M, Trusso S Journal of Physical Chemistry A, 124(51), 10856, 2020 |
| 3 |
Stereocontrolled Synthesis of (-)-Bactobolin A Vojackova P, Michalska L, Necas M, Shcherbakov D, Bottger EC, Sponer J, Sponer JE, Svenda J Journal of the American Chemical Society, 142(16), 7306, 2020 |
| 4 |
Revisiting the Potential Energy Surface of the Stacked Cytosine Dimer: FNO-CCSD(T) Interaction Energies, SAPT Decompositions, and Benchmarking Kruse H, Sponer J Journal of Physical Chemistry A, 123(42), 9209, 2019 |
| 5 |
Interaction between As(III) and Simple Thioacids in Water: An Experimental and ab Initio Molecular Dynamics Investigation Cassone G, Chille D, Giacobello F, Giuffre O, Nardo VM, Ponterio RC, Saija F, Sponer J, Trusso S, Foti C Journal of Physical Chemistry B, 123(28), 6090, 2019 |
| 6 |
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview Sponer J, Bussi G, Krepl M, Banas P, Bottaro S, Cunha RA, Gil-Ley A, Pinamonti G, Poblete S, Jureacka P, Walter NG, Otyepka M Chemical Reviews, 118(8), 4177, 2018 |
| 7 |
Noncanonical alpha/gamma Backbone Conformations in RNA and the Accuracy of Their Description by the AMBER Force Field Zgarbova M, Jurecka P, Banas P, Havrila M, Sponer J, Otyepka M Journal of Physical Chemistry B, 121(11), 2420, 2017 |
| 8 |
Channeling through Two Stacked Guanine Quartets of One and Two Alkali Cations in the Li+, Na+, K+, and Rb+ Series. Assessment of the Accuracy of the SIBFA Anisotropic Polarizable Molecular Mechanics Potential Gresh N, Naseem-Khan S, Lagardere L, Piquemal JP, Sponer JE, Sponer J Journal of Physical Chemistry B, 121(16), 3997, 2017 |
| 9 |
Mapping the Chemical Space of the RNA Cleavage and Its Implications for Ribozyme Catalysis Mlynsky V, Kuhrova P, Jurecka P, Sponer J, Otyepka M, Banas P Journal of Physical Chemistry B, 121(48), 10828, 2017 |
| 10 |
Structure of a Stable G-Hairpin Gajarsky M, Zivkovic ML, Stadlbauer P, Pagano B, Fiala R, Amato J, Tomaska L, Sponer J, Plavec J, Trantirek L Journal of the American Chemical Society, 139(10), 3591, 2017 |