Fragment molecular orbital method: application to polypeptides
Top Cited Papers
- 3 March 2000
- journal article
- Published by Elsevier BV in Chemical Physics Letters
- Vol. 318 (6), 614-618
- https://doi.org/10.1016/s0009-2614(00)00070-1
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Fragment molecular orbital method: an approximate computational method for large moleculesChemical Physics Letters, 1999
- Pair interaction molecular orbital method: an approximate computational method for molecular interactionsChemical Physics Letters, 1999
- Centrosymmetric bilayers in the 0.75 å resolution structure of a designed alpha‐helical peptide, D, L‐Alpha‐1Protein Science, 1999
- Ab Initio Geometry Determinations of Proteins. 1. CrambinThe Journal of Physical Chemistry A, 1998
- Linear scaling computation of the Fock matrixThe Journal of Chemical Physics, 1997
- Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row MoleculesThe Journal of Chemical Physics, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969