Works matching IS 01928651 AND DT 2005 AND VI 26 AND IP 5
Results: 12
Maximal probability domains in linear molecules.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 455, doi. 10.1002/jcc.20180
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Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 491, doi. 10.1002/jcc.20188
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Short-time Fourier transform analysis of ab initio molecular dynamics simulation: Collision reaction between CN and C<sub>4</sub>H<sub>6</sub>.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 436, doi. 10.1002/jcc.20183
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XMVB.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 514, doi. 10.1002/jcc.20187
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Structures and electron affinities of the di-arsenic fluorides As<sub>2</sub>F<sub>n</sub>/As<sub>2</sub>F.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 411, doi. 10.1002/jcc.20171
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SARS-CoV protease inhibitors design using virtual screening method from natural products libraries.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 484, doi. 10.1002/jcc.20186
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Chemical structures from the analysis of domain-averaged fermi holes. Nature of the MnMn bond in bis(pentacarbonylmanganese).
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 447, doi. 10.1002/jcc.20182
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A comparative study of various computational approaches in calculating the structure of pyridoxal 5′-phosphate (PLP)-dependent β-lyase protein. The importance of protein environment.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 443, doi. 10.1002/jcc.20179
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Improved greedy algorithm for protein structure reconstruction.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 506, doi. 10.1002/jcc.20181
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Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 461, doi. 10.1002/jcc.20174
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Comparative performance of MM3(92) and two TINKER™ MM3 versions for the modeling of carbohydrates.
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- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 471, doi. 10.1002/jcc.20185
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Announcements.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. v, doi. 10.1002/jcc.20203
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- Article