Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 30
Results: 10
Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2577, doi. 10.1002/jcc.23412
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- Article
Two-dimensional replica-exchange method for predicting protein-ligand binding structures.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2601, doi. 10.1002/jcc.23427
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Cover Image, Volume 34, Issue 30.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. i, doi. 10.1002/jcc.23467
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- Article
GalaxyDock2: Protein-ligand docking using beta-complex and global optimization.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2647, doi. 10.1002/jcc.23438
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- Article
Splitting multiple bonds: A comparison of methodologies on the accuracy of bond dissociation energies.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2625, doi. 10.1002/jcc.23433
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HomoSAR: Bridging comparative protein modeling with quantitative structural activity relationship to design new peptides.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2635, doi. 10.1002/jcc.23436
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Molecular dynamics simulation of benzene in graphite and amorphous carbon slit pores.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2615, doi. 10.1002/jcc.23429
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- Article
Stochastic structure determination for conformationally flexible heterogenous molecular clusters: Application to ionic liquids.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2591, doi. 10.1002/jcc.23420
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- Article
A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2657, doi. 10.1002/jcc.23428
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- Article
Cover Image, Volume 34, Issue 30.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. iii, doi. 10.1002/jcc.23467
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- Article