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Citation: Wd. Cornell et al., THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY, Journal of molecular structure. Theochem, 392, 1997, pp. 101-109
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Authors:
CORNELL WD
CIEPLAK P
BAYLY CI
GOULD IR
MERZ KM
FERGUSON DM
SPELLMEYER DC
FOX T
CALDWELL JW
KOLLMAN PA
Citation: Wd. Cornell et al., A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995), Journal of the American Chemical Society, 118(9), 1996, pp. 2309-2309
Citation: A. Stamant et al., CALCULATION OF MOLECULAR GEOMETRIES, RELATIVE CONFORMATIONAL ENERGIES, DIPOLE-MOMENTS, AND MOLECULAR ELECTROSTATIC POTENTIAL FITTED CHARGESOF SMALL ORGANIC-MOLECULES OF BIOCHEMICAL INTEREST BY DENSITY-FUNCTIONAL THEORY, Journal of computational chemistry, 16(12), 1995, pp. 1483-1506
Citation: P. Cieplak et al., APPLICATION OF THE MULTIMOLECULE AND MULTICONFORMATIONAL RESP METHODOLOGY TO BIOPOLYMERS - CHARGE DERIVATION FOR DNA, RNA, AND PROTEINS, Journal of computational chemistry, 16(11), 1995, pp. 1357-1377
Authors:
CORNELL WD
CIEPLAK P
BAYLY CI
GOULD IR
MERZ KM
FERGUSON DM
SPELLMEYER DC
FOX T
CALDWELL JW
KOLLMAN PA
Citation: Wd. Cornell et al., A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES, Journal of the American Chemical Society, 117(19), 1995, pp. 5179-5197
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Citation: Wd. Cornell et al., APPLICATION OF RESP CHARGES TO CALCULATE CONFORMATIONAL ENERGIES, HYDROGEN-BOND ENERGIES, AND FREE-ENERGIES OF SOLVATION, Journal of the American Chemical Society, 115(21), 1993, pp. 9620-9631