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Russian Academy of Science

Institute of Physiologically Active Compounds ( IPAC )
Department of Computer-Aided Molecular Design

Articles of last five years:

  1. V.B.Avidon, O.A.Raevsky, V.S.Aralovich, R.I.Zdanov, Computer-Assisted Evaluation of Nitroxyl Radical Effect on Biological Activity, in Bioactive Spin Labels, ed. R.I.Zdanov, Berlin-New Jork:Springer-Verlag, 1992, pp.549-571.
  2. O.A.Raevsky.Ju.Grigorev, D.Kireev, N.S.Zefirov, Complete Thermodynamic Description of H-Bonding in the Framework of Multiplicative Approach, Quant.Struct.-Act.Relat., 1992, v.11, 49-64;.
  3. O.A.Raevsky, V.Ju.Grigorev, D.Kireev, N.S.Zefirov, Correlation Analysis and H-bond ability in framework of QSAR, J.Chim.Phys, 1992, v.89, pp.1747-1753;
  4. .., .., .A., .., - , - , . . , 1992, N 9-10, c. 92-94;16.
  5. .., K.., O.., .., -24--8 , , 1992, .324, c. 830-834;
  6. .., .A. . : ; H.-J.Schneider, T.Blatter, A.Eliseev, V.Rudiger, O.Raevsky, Electrostatics in Molecular Recognition: From Ion Pairs and Ionophores to Nucleotides and DNA, Pure & Appl.Chem., 1993, v.65, p.2329-2334;
  7. O.A.Raevsky, V.Grigorev, E.Mednikova, QSAR H-Bonding Descriptors, in Trends in QSAR and Molecular Modelling, rd.C.G.Wermuth, 1993, Leiden:Escom, pp.116-119;
  8. D.B.Kireev, O.A.Raevsky, V.I.Fetisov, QSAR H-Bonding Descriptors, in Trends in QSAR and Molecular Modelling, ed.C.G.Wermuth, 1993, Leiden:Escom, pp.331-332;
  9. O.A.Raevsky, A.M.Sapegin, N.S.Zefirov, The QSAR Discriminant-Regression Model, Ouant.Struct.-Act.Relat., 1994, v.13, pp.412-418;
  10. D.B.Kireev, J.K.Chretien, O.A.Raevsky, Molecular Modelling and QSAR Studies of Anti-HIV of 1,2--heteroarylquinoline-4-amines, Eur.J.Med.Chem., 1995, v.30, pp.395-402;
  11. O.A.Raevsky, K.-J.Schaper, J.K.Seydel, H-Bond Contribution to Octanol-Water Partition Coefficient of Polar Compounds, Ouant.Struct.-Act.Relat., 1995, v.14, pp.433-436;
  12. O.A.Raevsky, Quantitative Description of H-Bonding, Newsletter of QSAR Society, 1995, N5, pp. 2-5;
  13. ..c, O.A.,.., -, .. ., 1995, . 8-12;
  14. .., , . ., 1995, .39, c.109-120;
  15. H.-J.Schneider, V.Rudiger, O.Raevsky, The Incremental Description of Host-Guest Complexes: Free Energy Increments Derived from Hydrogen Bonds Applied to Crown Ethers and Cryptands,J.Org.Chem., 1993, v.58, p.3648-3653;
  16. .., .., , . .., 1995, .31, c. 1793-1801;
  17. O.A.Raevsky, L.Dolmatova, V.Grigorev, S.Bondarev, Molecular Recognition Descriptors in QSAR, in QSAR and Molecular Modelling: Concepts, Computional Tools and Biological Applications, eds. F.Sanz, J.Giraldo, 1995, Barcelone:Prous Science Publ., pp.241-245;
  18. I.I.Kitova, O.A.Raevsky, V.G.Blinova, N.S.Zefirov, Statistical and Logico-Structural Approaches in QSAR Analysis of Anti-HIV Activity, ibid., pp.160-162;
  19. A.N.Razdolsky, O.Lomova, D.Sukhachev, S.Tkachenko, O.Raevsky, N.Zefirov, ibid., pp. 661-662; .., H.., .., .., .., .., (1--4-). -, , 1996, . 346, c.549-551
  20. O.A.Raevsky, Program Package HYBOT( HYdrogen Bond Thermodynamics), Newsletter of QSAR and Modelling Society, 1996, N 7, p.16;
  21. V.P.Solovev , N.N.Strahova. O.A.Raevsky, H.-J.Schneider, V.Rudiger, Supramolecular Chemistry. 60. Solvent Effects on Crown Ether Complexations,J.Org.Chem., 1996, v.61, pp. 5221-5226;
  22. H.Waterbeemd, G.Gamenisch, G.Folkers, O.A.Raevsky, Estimation of Caco-2 Cell Permeability using Calculated Molecular Descriptors , Quant.Struct.-Act.Relat, 1996, v. 15, N 6, pp.480-490;
  23. O.A.Raevsky, V.P.Solovev, A.Solotnov, H.-J.Schneider, V.Rudiger, Conformations of 18-Crown-5 and its Influence on Complexation with Alkali and Ammonium Cations, J.Org.Chem., 1996, v. 61, p.1083-1089;
  24. O.A.Raevsky, Hydrogen Bond Strength Estimation by means of HYBOT, in Computer-Assisted Lead Finding and Optimization, eds.H.Waterbeemd, B.Testa, G.Folkers, 1997, Basel: Verlag, pp. 367-378