Existence of dynamic tautomerism and divalent N(I) character in N-(pyridin-2-yl)thiazol-2-amine.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1577, doi. 10.1002/jcc.23293
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 18
Results: 11
1
2
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1561, doi. 10.1002/jcc.23286
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- Publication type:
- Article
3
An efficient fluctuating charge model for transition metal complexes.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1598, doi. 10.1002/jcc.23297
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- Publication type:
- Article
4
Computational design of S-nitrosothiol 'Click' reactions.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1527, doi. 10.1002/jcc.23279
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- Publication type:
- Article
5
Cover Image, Volume 34, Issue 18.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. i, doi. 10.1002/jcc.23351
- Publication type:
- Article
6
Dynamics and structural changes of small water clusters on ionization.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1589, doi. 10.1002/jcc.23296
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- Publication type:
- Article
7
Erratum: A convective replica-exchange method for sampling new energy basins.
- Published in:
- 2013
- By:
- Publication type:
- Erratum
8
Computation of magnetic circular dichroism by sum-over-states summations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1531, doi. 10.1002/jcc.23277
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- Publication type:
- Article
9
Relating Trp-Glu dipeptide fluorescence to molecular conformation: The role of the discrete chi 1 and chi 2 angles.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1549, doi. 10.1002/jcc.23288
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- Publication type:
- Article
10
Parameters for molecular dynamics simulations of iron-sulfur proteins.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1540, doi. 10.1002/jcc.23287
- By:
- Publication type:
- Article
11
Inside Cover, Volume 34, Issue 18.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. iii, doi. 10.1002/jcc.23352
- Publication type:
- Article