Rein R - Search Results

1

Potential-derived point-charge model study of electrostatic interaction energies in some hydrogen-bonded systems.

Ray NK, Shibata M, Bolis G, Rein R. Ray NK, et al. Among authors: rein r. Int J Quantum Chem. 1985;27:427-37. doi: 10.1002/qua.560270407. Int J Quantum Chem. 1985. PMID: 11542007

2

Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties.

Sokalski WA, Shibata M, Ornstein RL, Rein R. Sokalski WA, et al. Among authors: rein r. J Comput Chem. 1992 Sep;13(7):883-7. doi: 10.1002/jcc.540130713. J Comput Chem. 1992. PMID: 11538053

3

Ab initio study of the electrostatic multipole nature of torsional potentials in CH3SSCH3, CH3SSH, and HOOH.

Sokalski WA, Lai J, Luo N, Sun S, Shibata M, Ornstein R, Rein R. Sokalski WA, et al. Among authors: rein r. Int J Quantum Chem Quantum Biol Symp. 1991;18:61-71. doi: 10.1002/qua.560400711. Int J Quantum Chem Quantum Biol Symp. 1991. PMID: 11538107

4

Point charge representation of multicenter multipole moments in calculation of electrostatic properties.

Sokalski WA, Shibata M, Ornstein RL, Rein R. Sokalski WA, et al. Among authors: rein r. Theor Chim Acta. 1993;85:209-16. doi: 10.1007/BF01374589. Theor Chim Acta. 1993. PMID: 11539836

5

Potential derived point charge model study of electrostatic interaction energies in some complexes of water with uracil, thymine, and cytosine.

Ray NK, Bolis G, Shibata M, Rein R. Ray NK, et al. Among authors: rein r. Int J Quantum Chem Quantum Biol Symp. 1984;11:257-66. doi: 10.1002/qua.560260727. Int J Quantum Chem Quantum Biol Symp. 1984. PMID: 11540815

6

Potential-derived point-charge model study of electrostatic interactions in DNA base components.

Ray NK, Shibata M, Bolis G, Rein R. Ray NK, et al. Among authors: rein r. Chem Phys Lett. 1984 Aug 24;109(4):352-8. doi: 10.1016/0009-2614(84)85600-6. Chem Phys Lett. 1984. PMID: 11541979

7

Multistep modeling (MSM) of biomolecular structure application to the A-G mispair in the B-DNA environment.

Srinivasan S, Raghunathan G, Shibata M, Rein R. Srinivasan S, et al. Among authors: rein r. Int J Quantum Chem Quantum Biol Symp. 1986;12:217-27. doi: 10.1002/qua.560280721. Int J Quantum Chem Quantum Biol Symp. 1986. PMID: 11542061

8

An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain.

Luo N, Shibata M, Rein R. Luo N, et al. Among authors: rein r. J Math Chem. 1991;8:217-27. doi: 10.1007/BF01166938. J Math Chem. 1991. PMID: 11538108

9

Multistep modeling of protein structure: application to bungarotoxin.

Srinivasan S, Shibata M, Rein R. Srinivasan S, et al. Among authors: rein r. Int J Quantum Chem Quantum Biol Symp. 1986;13:167-74. doi: 10.1002/qua.560300817. Int J Quantum Chem Quantum Biol Symp. 1986. PMID: 11542036

10

Multistep modeling of protein structure: application towards refinement of tyr-tRNA synthetase.

Srinivasan S, Shibata M, Roychoudhury M, Rein R. Srinivasan S, et al. Among authors: rein r. Int J Quantum Chem Quantum Biol Symp. 1987;14:281-8. doi: 10.1002/qua.560320825. Int J Quantum Chem Quantum Biol Symp. 1987. PMID: 11542105

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