AAAAAA

   
Results: 1-10 |
Results: 10
CALCULATION OF THE PHI-PSI MAPS FOR ALANYL AND GLYCYL DIPEPTIDES WITHDIFFERENT ADDITIVE AND NONADDITIVE MOLECULAR MECHANICAL MODELS
Authors: CORNELL WD CALDWELL JW KOLLMAN PA
Citation: Wd. Cornell et al., CALCULATION OF THE PHI-PSI MAPS FOR ALANYL AND GLYCYL DIPEPTIDES WITHDIFFERENT ADDITIVE AND NONADDITIVE MOLECULAR MECHANICAL MODELS, Journal de chimie physique et de physico-chimie biologique, 94(7-8), 1997, pp. 1417-1435
THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY
Authors: CORNELL WD GOULD IR KOLLMAN PA
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
APPLICATION OF A SIMPLE DIAGONAL FORCE-FIELD TO THE SIMULATION OF CYCLOPENTANE CONFORMATIONAL DYNAMICS
Authors: CORNELL WD HA MP SUN Y KOLLMAN PA
Citation: Wd. Cornell et al., APPLICATION OF A SIMPLE DIAGONAL FORCE-FIELD TO THE SIMULATION OF CYCLOPENTANE CONFORMATIONAL DYNAMICS, Journal of computational chemistry, 17(13), 1996, pp. 1541-1548
A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995)
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
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
Authors: STAMANT A CORNELL WD KOLLMAN PA
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
APPLICATION OF THE MULTIMOLECULE AND MULTICONFORMATIONAL RESP METHODOLOGY TO BIOPOLYMERS - CHARGE DERIVATION FOR DNA, RNA, AND PROTEINS
Authors: CIEPLAK P CORNELL WD BAYLY C KOLLMAN PA
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
A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES
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
A QUANTUM-MECHANICAL INVESTIGATION OF THE CONFORMATIONAL ENERGETICS OF THE ALANINE AND GLYCINE DIPEPTIDES IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION
Authors: GOULD IR CORNELL WD HILLIER IH
Citation: Ir. Gould et al., A QUANTUM-MECHANICAL INVESTIGATION OF THE CONFORMATIONAL ENERGETICS OF THE ALANINE AND GLYCINE DIPEPTIDES IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION, Journal of the American Chemical Society, 116(20), 1994, pp. 9250-9256
A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL
Authors: BAYLY CI CIEPLAK P CORNELL WD KOLLMAN PA
Citation: Ci. Bayly et al., A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL, Journal of physical chemistry, 97(40), 1993, pp. 10269-10280
APPLICATION OF RESP CHARGES TO CALCULATE CONFORMATIONAL ENERGIES, HYDROGEN-BOND ENERGIES, AND FREE-ENERGIES OF SOLVATION
Authors: CORNELL WD CIEPLAK P BAYLY CI KOLLMAN PA
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
Risultati: 1-10 |