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Jeffry D. Madura

Veröffentlichungen von Jeffry D. Madura zu Madura, Jeffry D.. ->
weitere Veröffentlichungen von Jeffry D. Madura:
Interactions of the D- and L-Forms of Winter Flounder Antifreeze Peptide with the {201} Planes of Ice (1994)
Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution (1986)
Brownian dynamics simulation of diffusional encounters between triose phosphate isomerase and D-glyceraldehyde phosphate (1989)
Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water (1983)
Optimized intermolecular potential functions for liquid hydrocarbons (1984)
Network topology in simulated water (1987)
Fischer route to pyrido[3,2-g]indoles. A novel receptor for urea derivatives (1990)
Molecular dynamics simulation with a continuum electrostatic model of the solvent (1995)
Calculations of the electrostatic free energy contributions to the binding free energy of sulfonamides to carbonic anhydrase (1996)
Molecular recognition: effect of rotational isomers on host-guest binding (1993)
Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states (1983)
Structure of trans-Rh(PH3)2(CO)X (X = F, Cl) Using Hartree-Fock/MBPT(2) and Density Functional Theory (1994)
Brownian dynamics simulations of diffusional encounters between triose phosphate isomerase and glyceraldehyde phosphate: electrostatic steering of glyceraldehyde phosphate (1993)
Simulation of enzyme–substrate encounter with gated active sites (1994)
Veröffentlichungen zu Madura, Jeffry D..
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1
Madura, Jeffry D.. Interactions of the D- and L-Forms of Winter Flounder Antifreeze Peptide with the {201} Planes of Ice
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 1 (1994), p. 417-418
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1994
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2
Madura, Jeffry D.. Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 10 (1986), p. 2517-2527
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1986
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3
Madura, Jeffry D.. Brownian dynamics simulation of diffusional encounters between triose phosphate isomerase and D-glyceraldehyde phosphate
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 93, No. 21 (1989), p. 7285-7287
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1989
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4
Jorgensen, William L.. Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 6 (1983), p. 1407-1413
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1983
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5
Jorgensen, William L.. Optimized intermolecular potential functions for liquid hydrocarbons
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 106, No. 22 (1984), p. 6638-6646
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1984
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6
Speedy, Robin J.. Network topology in simulated water
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 91, No. 4 (1987), p. 909-913
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1987
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7
Hegde, Vidyadhar. Fischer route to pyrido[3,2-g]indoles. A novel receptor for urea derivatives
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 11 (1990), p. 4549-4550
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1990
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8
Gilson, Michael K.., McCammon, J. Andrew., ... Molecular dynamics simulation with a continuum electrostatic model of the solvent
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 16 (9. 1995), p. 1081-1095
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1995
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9
Madura, Jeffry D., Nakajima, Yasushi, ... Calculations of the electrostatic free energy contributions to the binding free energy of sulfonamides to carbonic anhydrase
in: Structural chemistry , ISSN 1572-9001, Vol. 7 (2. 1996), p. 131-138
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1996
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10
Cannon, William R.. Molecular recognition: effect of rotational isomers on host-guest binding
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 3 (1993), p. 879-884
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1993
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11
Houk, K. N.. Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 19 (1983), p. 5980-5988
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1983
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12
Salter, Edward A.. Structure of trans-Rh(PH3)2(CO)X (X = F, Cl) Using Hartree-Fock/MBPT(2) and Density Functional Theory
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 49 (1994), p. 12945-12948
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1994
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13
Luty, Brock A.. Brownian dynamics simulations of diffusional encounters between triose phosphate isomerase and glyceraldehyde phosphate: electrostatic steering of glyceraldehyde phosphate
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 1 (1993), p. 233-237
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1993
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14
Wade, Rebecca C., Luty, Brock A., ... Simulation of enzyme–substrate encounter with gated active sites
in: Nature structural biology . - New York, NY : Nature America, ISSN 1072-8368, Vol. 1, No. 1 (1994), p. 65-69
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1994