Cover Image, Volume 39, Issue 24.
- Published in:
- 2018
- Publication type:
- Image
Works matching IS 01928651 AND DT 2018 AND VI 39 AND IP 24
Results: 10
1
2
Computational Feasibility of an Exhaustive Search of Side‐Chain Conformations in Protein‐Protein Docking.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 2012, doi. 10.1002/jcc.25381
- By:
- Publication type:
- Article
3
Prion protein conversion triggered by acidic condition: a molecular dynamics study through different force fields.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 2000, doi. 10.1002/jcc.25380
- By:
- Publication type:
- Article
4
Hybrid density functional study on the electronic structures and properties of P3HT‐PbS and P3HT‐CdS hybrid interface for photovoltaic applications.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 1990, doi. 10.1002/jcc.25378
- By:
- Publication type:
- Article
5
Efficient algorithm for expanding theoretical electron densities in canterakis–zernike functions.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 2022, doi. 10.1002/jcc.25376
- By:
- Publication type:
- Article
6
A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 1979, doi. 10.1002/jcc.25374
- By:
- Publication type:
- Article
7
RI‐MP3 calculations of biomolecules based on the fragment molecular orbital method.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 1970, doi. 10.1002/jcc.25368
- By:
- Publication type:
- Article
8
Eliminating symmetry problems in electronegativity equalization and correcting self‐interaction errors in conceptual DFT.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 1949, doi. 10.1002/jcc.25356
- By:
- Publication type:
- Article
9
Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. 1943, doi. 10.1002/jcc.25340
- By:
- Publication type:
- Article
10
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 24, p. N.PAG, doi. 10.1002/jcc.25016
- Publication type:
- Article