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Results: 1-9 |
Results: 9
ACCURATE AB-INITIO QUANTUM-CHEMICAL DETERMINATION OF THE RELATIVE ENERGETICS OF PEPTIDE CONFORMATIONS AND ASSESSMENT OF EMPIRICAL FORCE-FIELDS
Authors: BEACHY MD CHASMAN D MURPHY RB HALGREN TA FRIESNER RA
Citation: Md. Beachy et al., ACCURATE AB-INITIO QUANTUM-CHEMICAL DETERMINATION OF THE RELATIVE ENERGETICS OF PEPTIDE CONFORMATIONS AND ASSESSMENT OF EMPIRICAL FORCE-FIELDS, Journal of the American Chemical Society, 119(25), 1997, pp. 5908-5920
MERCK MOLECULAR-FORCE FIELD .1. BASIS, FORM, SCOPE, PARAMETERIZATION,AND PERFORMANCE OF MMFF94
Authors: HALGREN TA
Citation: Ta. Halgren, MERCK MOLECULAR-FORCE FIELD .1. BASIS, FORM, SCOPE, PARAMETERIZATION,AND PERFORMANCE OF MMFF94, Journal of computational chemistry, 17(5-6), 1996, pp. 490-519
MERCK MOLECULAR-FORCE FIELD .2. MMFF94 VAN-DER-WAALS AND ELECTROSTATIC PARAMETERS FOR INTERMOLECULAR INTERACTIONS
Authors: HALGREN TA
Citation: Ta. Halgren, MERCK MOLECULAR-FORCE FIELD .2. MMFF94 VAN-DER-WAALS AND ELECTROSTATIC PARAMETERS FOR INTERMOLECULAR INTERACTIONS, Journal of computational chemistry, 17(5-6), 1996, pp. 520-552
MERCK MOLECULAR-FORCE FIELD .3. MOLECULAR GEOMETRIES AND VIBRATIONAL FREQUENCIES FOR MMFF94
Authors: HALGREN TA
Citation: Ta. Halgren, MERCK MOLECULAR-FORCE FIELD .3. MOLECULAR GEOMETRIES AND VIBRATIONAL FREQUENCIES FOR MMFF94, Journal of computational chemistry, 17(5-6), 1996, pp. 553-586
MERCK MOLECULAR-FORCE FIELD .4. CONFORMATIONAL ENERGIES AND GEOMETRIES FOR MMFF94
Authors: HALGREN TA NACHBAR RB
Citation: Ta. Halgren et Rb. Nachbar, MERCK MOLECULAR-FORCE FIELD .4. CONFORMATIONAL ENERGIES AND GEOMETRIES FOR MMFF94, Journal of computational chemistry, 17(5-6), 1996, pp. 587-615
MERCK MOLECULAR-FORCE FIELD .5. EXTENSION OF MMFF94 USING EXPERIMENTAL-DATA, ADDITIONAL COMPUTATIONAL DATA, AND EMPIRICAL RULES
Authors: HALGREN TA
Citation: Ta. Halgren, MERCK MOLECULAR-FORCE FIELD .5. EXTENSION OF MMFF94 USING EXPERIMENTAL-DATA, ADDITIONAL COMPUTATIONAL DATA, AND EMPIRICAL RULES, Journal of computational chemistry, 17(5-6), 1996, pp. 616-641
A-PRIORI PREDICTION OF ACTIVITY FOR HIV-1 PROTEASE INHIBITORS EMPLOYING ENERGY MINIMIZATION IN THE ACTIVE-SITE (VOL 38, PG 308, 1995)
Authors: HOLLOWAY MK WAI JM HALGREN TA FITZGERALD PMD VACCA JP DORSEY BD LEVIN RB THOMPSON WJ CHEN LJ DESOLMS SJ GAFFIN N GHOSH AK GIULIANI EA GRAHAM SL GUARE JP HUNGATE RW LYLE TA SANDERS WM TUCKER TJ WIGGINS M WISCOUNT CM WOLTERSDORF OW YOUNG SD DARKE PL ZUGAY JA
Citation: Mk. Holloway et al., A-PRIORI PREDICTION OF ACTIVITY FOR HIV-1 PROTEASE INHIBITORS EMPLOYING ENERGY MINIMIZATION IN THE ACTIVE-SITE (VOL 38, PG 308, 1995), Journal of medicinal chemistry, 39(11), 1996, pp. 2280-2280
POTENTIAL-ENERGY FUNCTIONS
Authors: HALGREN TA
Citation: Ta. Halgren, POTENTIAL-ENERGY FUNCTIONS, Current opinion in structural biology, 5(2), 1995, pp. 205-210
A-PRIORI PREDICTION OF ACTIVITY FOR HIV-1 PROTEASE INHIBITORS EMPLOYING ENERGY MINIMIZATION IN THE ACTIVE-SITE
Authors: HOLLOWAY MK WAI JM HALGREN TA FITZGERALD PMD VACCA JP DORSEY BD LEVIN RB THOMPSON WJ CHEN LJ DESOLMS SJ GAFFIN N GHOSH AK GIULIANI EA GRAHAM SL GUARE JP HUNGATE RW LYLE TA SANDERS WM TUCKER TJ WIGGINS M WISCOUNT CM WOLTERSDORF OW YOUNG SD DARKE PL ZUGAY JA
Citation: Mk. Holloway et al., A-PRIORI PREDICTION OF ACTIVITY FOR HIV-1 PROTEASE INHIBITORS EMPLOYING ENERGY MINIMIZATION IN THE ACTIVE-SITE, Journal of medicinal chemistry, 38(2), 1995, pp. 305-317
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