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Results:
1-20
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Results: 20
Authors:
KORDEL J
PEARLMAN DA
CHAZIN WJ
Citation: J. Kordel et al., PROTEIN SOLUTION STRUCTURE CALCULATIONS IN SOLUTION - SOLVATED MOLECULAR-DYNAMICS REFINEMENT OF CALBINDIN D-9K, Journal of biomolecular NMR, 10(3), 1997, pp. 231-243
Authors:
PEARLMAN DA
Citation: Da. Pearlman, FINGAR - A NEW GENETIC ALGORITHM-BASED METHOD FOR FITTING NMR DATA, Journal of biomolecular NMR, 8(1), 1996, pp. 49-66
Authors:
LEPRE CA
PEARLMAN DA
FUTER O
LIVINGSTON DJ
MOORE JM
Citation: Ca. Lepre et al., PRACTICAL APPLICATIONS OF TIME-AVERAGED RESTRAINED MOLECULAR-DYNAMICSTO LIGAND-RECEPTOR SYSTEMS - FK506 BOUND TO THE Q50R,A95H,K98I TRIPLEMUTANT OF FKBP-13, Journal of biomolecular NMR, 8(1), 1996, pp. 67-76
Authors:
PEARLMAN DA
MURCKO MA
Citation: Da. Pearlman et Ma. Murcko, CONCERTS - DYNAMIC CONNECTION OF FRAGMENTS AS AN APPROACH TO DE-NOVO LIGAND DESIGN, Journal of medicinal chemistry, 39(8), 1996, pp. 1651-1663
Authors:
CHIPOT C
JAFFE R
MAIGRET B
PEARLMAN DA
KOLLMAN PA
Citation: C. Chipot et al., BENZENE DIMER - A GOOD MODEL FOR PI-PI INTERACTIONS IN PROTEINS - A COMPARISON BETWEEN THE BENZENE AND THE TOLUENE DIMERS IN THE CAS PHASE AND IN AN AQUEOUS-SOLUTION, Journal of the American Chemical Society, 118(45), 1996, pp. 11217-11224
Authors:
CHIPOT C
MAIGRET B
PEARLMAN DA
KOLLMAN PA
Citation: C. Chipot et al., MOLECULAR-DYNAMICS POTENTIAL OF MEAN FORCE CALCULATIONS - A STUDY OF THE TOLUENE-AMMONIUM PI-CATION INTERACTIONS, Journal of the American Chemical Society, 118(12), 1996, pp. 2998-3005
Authors:
ITOH S
DECENZO MT
LIVINGSTON DJ
PEARLMAN DA
NAVIA MA
Citation: S. Itoh et al., CONFORMATION OF FK506 IN X-RAY STRUCTURES OF ITS COMPLEXES WITH HUMANRECOMBINANT FKBP12 MUTANTS, Bioorganic & medicinal chemistry letters, 5(17), 1995, pp. 1983-1988
Authors:
PEARLMAN DA
CONNELLY PR
Citation: Da. Pearlman et Pr. Connelly, DETERMINATION OF THE DIFFERENTIAL-EFFECTS OF HYDROGEN-BONDING AND WATER RELEASE ON THE BINDING OF FK506 TO NATIVE AND TYR82-]PHE82 FKBP-12 PROTEINS USING FREE-ENERGY SIMULATIONS, Journal of Molecular Biology, 248(3), 1995, pp. 696-717
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
Authors:
PEARLMAN DA
Citation: Da. Pearlman, HOW WELL DO TIME-AVERAGED J-COUPLING RESTRAINTS WORK, Journal of biomolecular NMR, 4(2), 1994, pp. 279-299
Authors:
PEARLMAN DA
Citation: Da. Pearlman, HOW IS AN NMR STRUCTURE BEST DEFINED - AN ANALYSIS OF MOLECULAR-DYNAMICS DISTANCE-BASED APPROACHES, Journal of biomolecular NMR, 4(1), 1994, pp. 1-16
Authors:
DEBOLT SE
PEARLMAN DA
KOLLMAN PA
Citation: Se. Debolt et al., FREE-ENERGY PERTURBATION CALCULATIONS ON PARALLEL COMPUTERS - DEMONSTRATIONS OF SCALABLE LINEAR SPEEDUP, Journal of computational chemistry, 15(3), 1994, pp. 351-373
Authors:
PEARLMAN DA
Citation: Da. Pearlman, FREE-ENERGY DERIVATIVES - A NEW METHOD FOR PROBING THE CONVERGENCE PROBLEM IN FREE-ENERGY CALCULATIONS, Journal of computational chemistry, 15(1), 1994, pp. 105-123
Authors:
PEARLMAN DA
Citation: Da. Pearlman, A COMPARISON OF ALTERNATIVE APPROACHES TO FREE-ENERGY CALCULATIONS, Journal of physical chemistry, 98(5), 1994, pp. 1487-1493
Authors:
CIEPLAK P
PEARLMAN DA
KOLLMAN PA
Citation: P. Cieplak et al., WALKING ON THE FREE-ENERGY HYPERSURFACE OF THE 18-CROWN-6 ION SYSTEM USING FREE-ENERGY DERIVATIVES, The Journal of chemical physics, 101(1), 1994, pp. 627-633
Authors:
LEPRE CA
PEARLMAN DA
CHENG JW
DECENZO MT
LIVINGSTON DJ
MOORE JM
Citation: Ca. Lepre et al., SOLUTION STRUCTURE OF FK506 BOUND TO THE R42K, H87V DOUBLE MUTANT OF FKBP-12, Biochemistry, 33(46), 1994, pp. 13571-13580
Authors:
SINGH SB
PEARLMAN DA
KOLLMAN PA
Citation: Sb. Singh et al., FREE-ENERGY COMPONENT ANALYSIS - APPLICATION TO THE Z-PHOBICITY OF A-CENTER-DOT-T BASE-PAIRS, Journal of biomolecular structure & dynamics, 11(2), 1993, pp. 303-311
Authors:
PEARLMAN DA
MURCKO MA
Citation: Da. Pearlman et Ma. Murcko, CONCEPTS - NEW DYNAMIC ALGORITHM FOR DE-NOVO DRUG SUGGESTION, Journal of computational chemistry, 14(10), 1993, pp. 1184-1193
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
Authors:
PEARLMAN DA
Citation: Da. Pearlman, DETERMINING THE CONTRIBUTIONS OF CONSTRAINTS IN FREE-ENERGY CALCULATIONS - DEVELOPMENT, CHARACTERIZATION, AND RECOMMENDATIONS, The Journal of chemical physics, 98(11), 1993, pp. 8946-8957
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