Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory. | 10 | 1.80 | 2003 |
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. | 26 | 4.38 | 2003 |
Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 | 7 | 2.86 | 2000 |
Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces | 2 | 2.32 | 1996 |