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Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces., , and . J. Comput. Chem., 17 (7): 821-834 (1996)How stable is a collagen triple helix? An ab initio study on various collagen and beta-sheet forming sequences., and . J. Comput. Chem., 29 (9): 1374-1386 (2008)A simple fold with variations: the pacifastin inhibitor family., , and . Bioinform., 20 (4): 448-451 (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., , , , and . J. Comput. Chem., 24 (9): 1026-1042 (2003)Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-L-valinamide and N-formyl-L-phenylalaninamide., , , and . J. Comput. Chem., 22 (7): 732-751 (2001)Local protein backbone folds determined by calculated NMR chemical shifts., , and . J. Comput. Chem., 32 (16): 3362-3382 (2011)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 ., , , , , and . J. Comput. Chem., 21 (8): 626-655 (2000)Predictable Conformational Diversity in Foldamers of Sugar Amino Acids., , , , and . J. Chem. Inf. Model., 57 (4): 757-768 (2017)Four faces of the interaction between ions and aromatic rings., , , , and . Journal of Computational Chemistry, 38 (20): 1762-1773 (2017)Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols., , , and . J. Comput. Chem., 30 (4): 540-550 (2009)