Artificial neural network-based drug design for diabetes mellitus using flavonoids.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 555, doi. 10.1002/jcc.21641
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2011 AND VI 32 AND IP 4
Results: 19
1
2
Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 600, doi. 10.1002/jcc.21645
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- Publication type:
- Article
3
Similarity analysis of DNA sequences based on the weighted pseudo-entropy.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 675, doi. 10.1002/jcc.21656
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- Publication type:
- Article
4
Computational study of static first hyperpolarizability of donor-acceptor substituted ( E)-benzaldehyde phenylhydrazone.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 730, doi. 10.1002/jcc.21667
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- Publication type:
- Article
5
Rapid estimation of activation enthalpies for cytochrome-P450-mediated hydroxylations.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 639, doi. 10.1002/jcc.21649
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- Publication type:
- Article
6
A TD-DFT study on the cyanide-chemosensing mechanism of 8-formyl-7-hydroxycoumarin.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 668, doi. 10.1002/jcc.21651
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- Publication type:
- Article
7
Steric effects on alkyl cation affinities of maingroup-element hydrides.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 681, doi. 10.1002/jcc.21673
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- Publication type:
- Article
8
Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 582, doi. 10.1002/jcc.21644
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- Publication type:
- Article
9
Generation of Kekulé valence structures and the corresponding valence bond wave function.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 696, doi. 10.1002/jcc.21655
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- Publication type:
- Article
10
Structural, electronic, and magnetoresponsive properties of triangular lanthanide clusters and their free-standing nitrides.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 620, doi. 10.1002/jcc.21648
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- Publication type:
- Article
11
Thermochemical stabilities, electronic structures, and optical properties of C.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 658, doi. 10.1002/jcc.21650
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- Publication type:
- Article
12
Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 742, doi. 10.1002/jcc.21643
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- Publication type:
- Article
13
Extremely localized nonorthogonal orbitals by the pairing theorem.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 689, doi. 10.1002/jcc.21654
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- Publication type:
- Article
14
Ab initio molecular geometry and anharmonic vibrational spectra of thiourea and thiourea-d.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 718, doi. 10.1002/jcc.21665
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- Publication type:
- Article
15
Transport properties of graphene nanoribbon-based molecular devices.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 737, doi. 10.1002/jcc.21676
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- Publication type:
- Article
16
A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: Application to peptides.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 607, doi. 10.1002/jcc.21647
- By:
- Publication type:
- Article
17
VoteDock: Consensus docking method for prediction of protein-ligand interactions.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 568, doi. 10.1002/jcc.21642
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- Publication type:
- Article
18
Reliable protein structure refinement using a physical energy function.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 709, doi. 10.1002/jcc.21664
- By:
- Publication type:
- Article
19
MIBPB: A software package for electrostatic analysis.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 756, doi. 10.1002/jcc.21646
- By:
- Publication type:
- Article