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Results: 1-9 |
Results: 9
SOLVATION FREE-ENERGIES CALCULATED USING THE GB SA MODEL - SENSITIVITY OF RESULTS ON CHARGE SETS, PROTOCOLS, AND FORCE-FIELDS/
Authors: REDDY MR ERION MD AGARWAL A VISWANADHAN VN MCDONALD DQ STILL WC
Citation: Mr. Reddy et al., SOLVATION FREE-ENERGIES CALCULATED USING THE GB SA MODEL - SENSITIVITY OF RESULTS ON CHARGE SETS, PROTOCOLS, AND FORCE-FIELDS/, Journal of computational chemistry, 19(7), 1998, pp. 769-780
A PRACTICAL METHOD FOR CALCULATING RELATIVE FREE-ENERGIES OF BINDING - CHIRAL RECOGNITION OF PEPTIDIC AMMONIUM-IONS BY SYNTHETIC IONOPHORES
Authors: SENDEROWITZ H MCDONALD DQ STILL WC
Citation: H. Senderowitz et al., A PRACTICAL METHOD FOR CALCULATING RELATIVE FREE-ENERGIES OF BINDING - CHIRAL RECOGNITION OF PEPTIDIC AMMONIUM-IONS BY SYNTHETIC IONOPHORES, Journal of organic chemistry, 62(26), 1997, pp. 9123-9127
SELECTIVE BINDING OF THE DIPEPTIDES L-PHE-D-PRO AND D-PHE-L-PRO TO BETA-CYCLODEXTRIN
Authors: MALETIC M WENNEMERS H MCDONALD DQ BRESLOW R STILL WC
Citation: M. Maletic et al., SELECTIVE BINDING OF THE DIPEPTIDES L-PHE-D-PRO AND D-PHE-L-PRO TO BETA-CYCLODEXTRIN, Angewandte Chemie, International Edition in English, 35(13-14), 1996, pp. 1490-1492
MOLECULAR MECHANICS PARAMETERS AND CONFORMATIONAL FREE-ENERGIES OF PROLINE-CONTAINING PEPTIDES
Authors: MCDONALD DQ STILL WC
Citation: Dq. Mcdonald et Wc. Still, MOLECULAR MECHANICS PARAMETERS AND CONFORMATIONAL FREE-ENERGIES OF PROLINE-CONTAINING PEPTIDES, Journal of organic chemistry, 61(4), 1996, pp. 1385-1391
APPLICATION OF FREE-ENERGY PERTURBATION CALCULATIONS TO THE ENANTIOSELECTIVE BINDING OF PEPTIDES TO C-3-SYMMETRICAL SYNTHETIC RECEPTORS
Authors: MCDONALD DQ STILL WC
Citation: Dq. Mcdonald et Wc. Still, APPLICATION OF FREE-ENERGY PERTURBATION CALCULATIONS TO THE ENANTIOSELECTIVE BINDING OF PEPTIDES TO C-3-SYMMETRICAL SYNTHETIC RECEPTORS, Journal of the American Chemical Society, 118(8), 1996, pp. 2073-2077
CLUSTER-ANALYSIS OF MOLECULAR-CONFORMATIONS
Authors: SHENKIN PS MCDONALD DQ
Citation: Ps. Shenkin et Dq. Mcdonald, CLUSTER-ANALYSIS OF MOLECULAR-CONFORMATIONS, Journal of computational chemistry, 15(8), 1994, pp. 899-916
DIASTEREOFACIAL SELECTIVITY IN DIELS-ALDER CYCLOADDITIONS OF METHYL ACRYLATE TO FACIALLY DIFFERENTIATED UNSYMMETRICAL CYCLOHEXA-1,3-DIENES
Authors: COXON JM FONG ST LUNDIE K MCDONALD DQ STEEL PJ MARCHAND AP ZARAGOZA F ZOPE UR RAJAGOPAL D BOTT SG WATSON WH KASHYAP RP
Citation: Jm. Coxon et al., DIASTEREOFACIAL SELECTIVITY IN DIELS-ALDER CYCLOADDITIONS OF METHYL ACRYLATE TO FACIALLY DIFFERENTIATED UNSYMMETRICAL CYCLOHEXA-1,3-DIENES, Tetrahedron, 50(45), 1994, pp. 13037-13048
ENERGY CALCULATIONS IN MOLECULAR DESIGN - PREDICTIONS BY THEORY AND REALITY BY EXPERIMENT WITH ENANTIOSELECTIVE PODAND IONOPHORES
Authors: BURGER MT ARMSTRONG A GUARNIERI F MCDONALD DQ STILL WC
Citation: Mt. Burger et al., ENERGY CALCULATIONS IN MOLECULAR DESIGN - PREDICTIONS BY THEORY AND REALITY BY EXPERIMENT WITH ENANTIOSELECTIVE PODAND IONOPHORES, Journal of the American Chemical Society, 116(8), 1994, pp. 3593-3594
CONFORMATIONAL FREE-ENERGIES FROM SIMULATION - STOCHASTIC DYNAMICS MONTE-CARLO SIMULATIONS OF A HOMOLOGOUS SERIES OF GELLMANS DIAMIDES
Authors: MCDONALD DQ STILL WC
Citation: Dq. Mcdonald et Wc. Still, CONFORMATIONAL FREE-ENERGIES FROM SIMULATION - STOCHASTIC DYNAMICS MONTE-CARLO SIMULATIONS OF A HOMOLOGOUS SERIES OF GELLMANS DIAMIDES, Journal of the American Chemical Society, 116(25), 1994, pp. 11550-11553
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