Ab-initio refinement of an orbital-centred force field for biomolecules. Test cases including peptides, a sulphonamide and modelling of DNA helices.
D000249:Adenosine Monophosphate; D000409:Alanine / Q000031:analogs & derivatives*; D004247:DNA; D004151:Dipeptides; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D011487:Protein Conformation; D011789:Quantum Theory; D013449:Sulfonamides
D004151:Dipeptides; D013449:Sulfonamides; C024314:N-acetylalanyl-N-methylamide; D000249:Adenosine Monophosphate; D004247:DNA; D000409:Alanine