Structure

Molecular Dynamics Laboratory


Dr. Alexander V. Teplukhin


e-mail:tepl@impb.psn.ru

Main publications list

  1. Teplukhin A.V. Coordinational polyhedra of hydration shells of Na+ and K+ cations in aqueous solutions. Russian Chemical Bulletin, 48(5), 842-848 (1999). Abstract

  2. Gonzalez E., Castro I., Lopez E., Filippov S.V., Teplukhin A.V., Poltev V.I. Computer study of the role of hydration in the accuracy of nucleic acid biosynthesis. J. Mol. Struct. (THEOCHEM), 493(1-3), 301-308 (1999). Abstract

  3. Teplukhin A.V., Malenkov G.G., Poltev V.I. Monte Carlo simulation of DNA fragment hydration in the presence of alkaline cations using novel atom-atom potential functions. J Biomol Struct Dyn 16(2), 289-300 (1998). See full article

  4. Poltev V.I., Malenkov G.G., Gonzalez E.J., Teplukhin A.V., Rein R., Shibata M., Miller J.H. Modeling DNA hydration: comparison of calculated and experimental hydration properties of nuclic acid bases. J Biomol Struct Dyn 13(4), 717-726 (1996). Abstract here or by Medline

  5. Teplukhin A.V., Zhurkin V.B., Jernigan R., Poltev V.I. Modeling DNA hydration using the Monte Carlo method. Interaction of adenines with water in a nonglycoside A-tract groove stabilizes the B'- conformation. Mol. Biol. (Mosk.) 30(1), 121-135 (1996). Abstract here, also see Medline

  6. Poltev V.I., Kosevich M.V., Shelkovskii V.S., Pashinskaya V.A., Gonzales E.J., Teplukhin A.V., Malenkov G.G. The mechanism of tautomeric transitions of nucleic acid bases with limited access to water molecules. Mol. Biol. (Mosk.) 29(2), 376-382 (1995). Abstract here or by Medline

  7. Poltev V.I., Gonzalez E.J., Teplukhin A.V. The possible role of rare tautomers of DNA bases in mutagenesis: study of the effect of hydration on tautomeric equilibrium by the Monte Carlo method. Mol. Biol. (Mosk.) 29(2), 365-375 (1995) Abstract here or by Medline

  8. Poltev V.I., Teplukhin A.V., Kwiatkowski J.S. Monte Carlo simulation of hydration of the guanine:uracil pairs with guanine in two tautomeric forms: contribution of water bridging to relative stability of mispairs. J. Biomol. Struct. Dyn. 9(4), 747-757 (1992). Abstract here or by Medline

  9. Teplukhin A.V., Poltev V.I., Chuprina V.P. Dependence of the hydration shell structure in the minor groove of the DNA double helix on the groove width as revealed by Monte Carlo simulation. Biopolymers 31(12), 1445-1453 (1991). Abstract here or by Medline

  10. Poltev V.I., Lisnyak Yu.V., Teplukhin A.V. Modeling of hydration of incorrect nucleic acid base pairs by the Monte Carlo method. Mol. Biol. (Mosk.) 24(6), 1640-1648 (1990). Abstract here or by Medline

  11. Teplukhin A.V., Poltev V.I., Malenkov G.G. Monte Carlo simulation of hydration of nucleic acid fragments Mol. Biol. (Mosk.) 24(3), 832-846 (1990). Abstract here or by Medline

  12. Teplukhin A.V., Poltev V.I., Shulyupina N.V., Malenkov G.G. Monte Carlo simulation of hydration of the nucleic acid fragments. J. Biomol.Struct.Dyn. 7(1), 75-99 (1989). Abstract here or by Medline

  13. Poltev V.I., Teplukhin A.V., Chuprina V.P. Monte Carlo simulation of DNA duplex hydration. B and B' conformations of poly(dA).poly(dT) have different hydration shells. J. Biomol. Struct. Dyn. 6(3), 575-586 (1988). Abstract here or by Medline

  14. Poltev V.I., Shulyupina N.V., Teplukhin A.V., Malenkov G.G. Study of the hydration characteristics of nucleic acid bases and their complementary pairs using the Monte Carlo method. Mol. Biol. (Mosk.) 21(6), 1600-1609 (1987). Abstract here or by Medline

  15. Poltev V.I., Teplukhin A.V. Base interaction and conformation manifestations of repetitive nucleotide sequences. Mol. Biol. (Mosk.) 21(1), 102-115 (1987). Abstract here or by Medline