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Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges.
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- Journal of Molecular Modeling, 2017, v. 23, n. 11, p. 1, doi. 10.1007/s00894-017-3490-x
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Structure and dynamics of solvated hydrogenoxalate and oxalate anions: a theoretical study.
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- Journal of Molecular Modeling, 2016, v. 22, n. 9, p. 1, doi. 10.1007/s00894-016-3075-0
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- Article
Isolated Gramicidin Peptides Probed by IR Spectroscopy.
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- ChemPhysChem, 2011, v. 12, n. 10, p. 1816, doi. 10.1002/cphc.201100212
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- Article
Potential Energy Surfaces of the Microhydrated Guanine⋅⋅⋅Cytosine Base Pair and its Methylated Analogue.
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- ChemPhysChem, 2006, v. 7, n. 2, p. 439, doi. 10.1002/cphc.200500311
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- Article
Structures of Peptidic H‐wires at Mercury Surface: Molecular Dynamics Study.
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- Electroanalysis, 2019, v. 31, n. 10, p. 2032, doi. 10.1002/elan.201900314
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- Article
Cover Feature: Structures of Peptidic H‐wires at Mercury Surface: Molecular Dynamics Study (Electroanalysis 10/2019).
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- Electroanalysis, 2019, v. 31, n. 10, p. N.PAG, doi. 10.1002/elan.201981002
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- Article
DNA Base Trimers: Empirical and Quantum Chemical Ab Initio Calculations versus Experiment in Vacuo.
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- Chemistry - A European Journal, 2007, v. 13, n. 7, p. 2067, doi. 10.1002/chem.200601007
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- Article
At Nonzero Temperatures, Stacked Structures of Methylated Nucleic Acid Base Pairs and Microhydrated Nonmethylated Nucleic Acid Base Pairs are Favored over Planar Hydrogen-Bonded Structures: A Molecular Dynamics Simulations Study.
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- Chemistry - A European Journal, 2001, v. 7, n. 10, p. 2067, doi. 10.1002/1521-3765(20010518)7:10<2067::AID-CHEM2067>3.0.CO;2-S
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- Article
The cyanobacterial metabolite nocuolin a is a natural oxadiazine that triggers apoptosis in human cancer cells.
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- PLoS ONE, 2017, v. 12, n. 3, p. 1, doi. 10.1371/journal.pone.0172850
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Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock results
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- Journal of Computational Chemistry, 1997, v. 18, n. 9, p. 1136, doi. 10.1002/(SICI)1096-987X(19970715)18:9<1136::AID-JCC3>3.0.CO;2-S
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- Article