Roberto Improta, Vincenzo Barone Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:11, pp:1333-1341 [Journal]
Kenneth B. Wiberg Basis set effects on calculated geometries: 6-311++G** vs. aug-cc-pVDZ. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:11, pp:1342-1346 [Journal]
Gennady N. Chuev, Maxim V. Fedorov Wavelet algorithm for solving integral equations of molecular liquids. A test for the reference interaction site model. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:11, pp:1369-1377 [Journal]
Dawoon Jung, Jie Floyd, Tamara M. Gund A comparative molecular field analysis (CoMFA) study using semiempirical, density functional, ab initio methods and pharmacophore derivation using DISCOtech on sigma 1 ligands. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:11, pp:1385-1399 [Journal]
Alexander D. MacKerell Jr., Michael Feig, Charles L. Brooks III Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:11, pp:1400-1415 [Journal]