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Results: 1-9 |
Results: 9
RECENT ADVANCES IN STRUCTURE-BASED LIGAND DESIGN USING MOLECULAR-DYNAMICS AND MONTE-CARLO METHODS
Authors: KOLLMAN P
Citation: P. Kollman, RECENT ADVANCES IN STRUCTURE-BASED LIGAND DESIGN USING MOLECULAR-DYNAMICS AND MONTE-CARLO METHODS, Pharmaceutical research, 15(3), 1998, pp. 368-370
INTRODUCTION - THEORETICAL CHEMISTRY IN BIOLOGY - FROM MOLECULAR-STRUCTURE TO FUNCTIONAL MECHANISMS - A SATELLITE SYMPOSIUM OF THE 9TH INTERNATIONAL-CONGRESS OF QUANTUM-CHEMISTRY - JUNE 3-7, 1997, DESOTO HILTON, SAVANNA, GA
Authors: KOLLMAN P WEINSTEIN H ZERNER M
Citation: P. Kollman et al., INTRODUCTION - THEORETICAL CHEMISTRY IN BIOLOGY - FROM MOLECULAR-STRUCTURE TO FUNCTIONAL MECHANISMS - A SATELLITE SYMPOSIUM OF THE 9TH INTERNATIONAL-CONGRESS OF QUANTUM-CHEMISTRY - JUNE 3-7, 1997, DESOTO HILTON, SAVANNA, GA, International journal of quantum chemistry, 69(1), 1998, pp. 1-1
DESIGNING AN OPTIMUM GUEST FOR A HOST USING MULTIMOLECULE FREE-ENERGYCALCULATIONS - PREDICTING THE BEST LIGAND FOR REBEKS TENNIS BALL
Authors: PITERA J KOLLMAN P
Citation: J. Pitera et P. Kollman, DESIGNING AN OPTIMUM GUEST FOR A HOST USING MULTIMOLECULE FREE-ENERGYCALCULATIONS - PREDICTING THE BEST LIGAND FOR REBEKS TENNIS BALL, Journal of the American Chemical Society, 120(30), 1998, pp. 7557-7567
STRUCTURAL STUDIES ON A PARAMAGNETIC DRUG-DNA COMPLEX USING PSEUDOCONTACT SHIFT CONSTRAINTS IN NMR-SPECTROSCOPY
Authors: TU KC GOCHIN M KOLLMAN P
Citation: Kc. Tu et al., STRUCTURAL STUDIES ON A PARAMAGNETIC DRUG-DNA COMPLEX USING PSEUDOCONTACT SHIFT CONSTRAINTS IN NMR-SPECTROSCOPY, The FASEB journal, 11(9), 1997, pp. 27-27
ARE THERE WATER-BRIDGE-INDUCED HYDROPHILIC INTERACTIONS
Authors: SUN YX KOLLMAN P
Citation: Yx. Sun et P. Kollman, ARE THERE WATER-BRIDGE-INDUCED HYDROPHILIC INTERACTIONS, Journal of physical chemistry, 100(16), 1996, pp. 6760-6763
MOLECULAR-DYNAMICS AND FREE-ENERGY PERTURBATION CALCULATIONS - WHAT ROLE DO THEY PLAY IN COMPUTER-ASSISTED MOLECULAR DESIGN
Authors: KOLLMAN P
Citation: P. Kollman, MOLECULAR-DYNAMICS AND FREE-ENERGY PERTURBATION CALCULATIONS - WHAT ROLE DO THEY PLAY IN COMPUTER-ASSISTED MOLECULAR DESIGN, The FASEB journal, 9(6), 1995, pp. 1253-1253
AMBER, A PACKAGE OF COMPUTER-PROGRAMS FOR APPLYING MOLECULAR MECHANICS, NORMAL-MODE ANALYSIS, MOLECULAR-DYNAMICS AND FREE-ENERGY CALCULATIONS TO SIMULATE THE STRUCTURAL AND ENERGETIC PROPERTIES OF MOLECULES
Authors: PEARLMAN DA CASE DA CALDWELL JW ROSS WS CHEATHAM TE DEBOLT S FERGUSON D SEIBEL G KOLLMAN P
Citation: Da. Pearlman et al., AMBER, A PACKAGE OF COMPUTER-PROGRAMS FOR APPLYING MOLECULAR MECHANICS, NORMAL-MODE ANALYSIS, MOLECULAR-DYNAMICS AND FREE-ENERGY CALCULATIONS TO SIMULATE THE STRUCTURAL AND ENERGETIC PROPERTIES OF MOLECULES, Computer physics communications, 91(1-3), 1995, pp. 1-41
CALCULATIONS OF THE RELATIVE FREE-ENERGIES OF AQUEOUS SOLVATION OF SEVERAL FLUOROCARBONS - A TEST OF THE BOND POTENTIAL OF MEAN FORCE CORRECTION
Authors: GOUGH CA PEARLMAN DA KOLLMAN P
Citation: Ca. Gough et al., CALCULATIONS OF THE RELATIVE FREE-ENERGIES OF AQUEOUS SOLVATION OF SEVERAL FLUOROCARBONS - A TEST OF THE BOND POTENTIAL OF MEAN FORCE CORRECTION, The Journal of chemical physics, 99(11), 1993, pp. 9103-9110
FREE-ENERGY CALCULATIONS - APPLICATIONS TO CHEMICAL AND BIOCHEMICAL PHENOMENA
Authors: KOLLMAN P
Citation: P. Kollman, FREE-ENERGY CALCULATIONS - APPLICATIONS TO CHEMICAL AND BIOCHEMICAL PHENOMENA, Chemical reviews, 93(7), 1993, pp. 2395-2417
Risultati: 1-9 |