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Results:
1-13
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Results: 13
Authors:
YORK DM
LEE TS
YANG WT
Citation: Dm. York et al., QUANTUM-MECHANICAL TREATMENT OF BIOLOGICAL MACROMOLECULES IN SOLUTIONUSING LINEAR-SCALING ELECTRONIC-STRUCTURE METHODS, Physical review letters, 80(22), 1998, pp. 5011-5014
Authors:
LEE TS
YORK DM
YANG WT
Citation: Ts. Lee et al., LINEAR-SCALING SEMIEMPIRICAL QUANTUM CALCULATIONS FOR MACROMOLECULES, The Journal of chemical physics, 105(7), 1996, pp. 2744-2750
Authors:
YORK DM
YANG WT
Citation: Dm. York et Wt. Yang, A CHEMICAL-POTENTIAL EQUALIZATION METHOD FOR MOLECULAR SIMULATIONS, The Journal of chemical physics, 104(1), 1996, pp. 159-172
Authors:
YORK DM
LEE TS
YANG WT
Citation: Dm. York et al., PARAMETERIZATION AND EFFICIENT IMPLEMENTATION OF A SOLVENT MODEL FOR LINEAR-SCALING SEMIEMPIRICAL QUANTUM-MECHANICAL CALCULATIONS OF BIOLOGICAL MACROMOLECULES, Chemical physics letters, 263(1-2), 1996, pp. 297-304
Authors:
YORK DM
LEE TS
YANG WT
Citation: Dm. York et al., QUANTUM-MECHANICAL STUDY OF AQUEOUS POLARIZATION EFFECTS ON BIOLOGICAL MACROMOLECULES, Journal of the American Chemical Society, 118(44), 1996, pp. 10940-10941
Authors:
NI HH
YORK DM
BARTOLOTTI L
WELLS RL
YANG WT
Citation: Hh. Ni et al., DENSITY-FUNCTIONAL STUDY OF THE GEOMETRIES, STABILITIES, AND BOND-ENERGIES OF GROUP-III-V(13-15) 4-MEMBERED-RING COMPOUNDS, Journal of the American Chemical Society, 118(24), 1996, pp. 5732-5736
Authors:
LEE TS
YORK DM
YANG WT
Citation: Ts. Lee et al., A NEW DEFINITION OF ATOMIC CHARGES BASED ON A VARIATIONAL PRINCIPLE FOR THE ELECTROSTATIC POTENTIAL-ENERGY, The Journal of chemical physics, 102(19), 1995, pp. 7549-7556
Authors:
YORK DM
Citation: Dm. York, A GENERALIZED FORMULATION OF ELECTRONEGATIVITY EQUALIZATION FROM DENSITY-FUNCTIONAL THEORY, International journal of quantum chemistry, 1995, pp. 385-394
Authors:
YORK DM
YANG WT
LEE H
DARDEN T
PEDERSEN LG
Citation: Dm. York et al., TOWARD THE ACCURATE MODELING OF DNA - THE IMPORTANCE OF LONG-RANGE ELECTROSTATICS, Journal of the American Chemical Society, 117(17), 1995, pp. 5001-5002
Authors:
YORK DM
BARTOLOTTI LJ
DARDEN TA
PEDERSEN LG
ANDERSON MW
Citation: Dm. York et al., SIMULATIONS OF THE SOLUTION STRUCTURE OF HIV-1 PROTEASE IN THE PRESENCE AND ABSENCE OF BOUND ZINC, Journal of computational chemistry, 15(1), 1994, pp. 61-71
Authors:
YORK DM
WLODAWER A
PEDERSEN LG
DARDEN TA
Citation: Dm. York et al., ATOMIC-LEVEL ACCURACY IN SIMULATIONS OF LARGE PROTEIN CRYSTALS, Proceedings of the National Academy of Sciences of the United Statesof America, 91(18), 1994, pp. 8715-8718
Authors:
YORK DM
DARDEN TA
PEDERSEN LG
ANDERSON MW
Citation: Dm. York et al., MOLECULAR MODELING STUDIES SUGGEST THAT ZINC IONS INHIBIT HIV-1 PROTEASE BY BINDING AT CATALYTIC ASPARTATES, Environmental health perspectives, 101(3), 1993, pp. 246-250
Authors:
YORK DM
DARDEN TA
PEDERSEN LG
Citation: Dm. York et al., THE EFFECT OF LONG-RANGE ELECTROSTATIC INTERACTIONS IN SIMULATIONS OFMACROMOLECULAR CRYSTALS - A COMPARISON OF THE EWALD AND TRUNCATED LIST METHODS, The Journal of chemical physics, 99(10), 1993, pp. 8345-8348
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