Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT). | 0 | 0.34 | 2019 |
Role of aromacity, ring strain, and stereochemistry of selected disulfides and their congeners in the oxidative linkage of DNA strands at the major groove. A computational study. | 0 | 0.34 | 2006 |
Structure and stability of -pleated sheets | 3 | 1.40 | 2005 |
Stability issues of covalently and noncovalently bonded peptide subunits. | 1 | 0.40 | 2004 |
On the flexibility of -peptides | 0 | 0.34 | 2004 |
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 |
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 |
Ab initio and density functional study of the conformational space of 1C4 ALFA -L-fucose | 1 | 0.42 | 1997 |
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 |