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Results: 1-9 |
Results: 9
The determination of the crystal structure of anhydrous theophylline by X-ray powder diffraction with a systematic search algorithm, lattice energy calculations, and C-13 and N-15 solid-state NMR: A question of polymorphism in a given unit cell
Authors: Smith, EDL Hammond, RB Jones, MJ Roberts, KJ Mitchell, JBO Price, SL Harris, RK Apperley, DC Cherryman, JC Docherty, R
Citation: Edl. Smith et al., The determination of the crystal structure of anhydrous theophylline by X-ray powder diffraction with a systematic search algorithm, lattice energy calculations, and C-13 and N-15 solid-state NMR: A question of polymorphism in a given unit cell, J PHYS CH B, 105(24), 2001, pp. 5818-5826
Anisotropic repulsion potentials for cyanuric chloride (C3N3Cl3) and theirapplication to modeling the crystal structures of azaaromatic chlorides
Authors: Mitchell, JBO Price, SL Leslie, M Buttar, D Roberts, RJ
Citation: Jbo. Mitchell et al., Anisotropic repulsion potentials for cyanuric chloride (C3N3Cl3) and theirapplication to modeling the crystal structures of azaaromatic chlorides, J PHYS CH A, 105(43), 2001, pp. 9961-9971
Evaluation of a knowledge-based potential of mean force for scoring dockedprotein-ligand complexes
Authors: Nobeli, I Mitchell, JBO Alex, A Thornton, JM
Citation: I. Nobeli et al., Evaluation of a knowledge-based potential of mean force for scoring dockedprotein-ligand complexes, J COMPUT CH, 22(7), 2001, pp. 673-688
The relationship between the sequence identities of alpha helical proteinsin the PDB and the molecular similarities of their ligands
Authors: Mitchell, JBO
Citation: Jbo. Mitchell, The relationship between the sequence identities of alpha helical proteinsin the PDB and the molecular similarities of their ligands, J CHEM INF, 41(6), 2001, pp. 1617-1622
A systematic nonempirical method of deriving model intermolecular potentials for organic molecules: Application to amides
Authors: Mitchell, JBO Price, SL
Citation: Jbo. Mitchell et Sl. Price, A systematic nonempirical method of deriving model intermolecular potentials for organic molecules: Application to amides, J PHYS CH A, 104(46), 2000, pp. 10958-10971
BLEEP - Potential of mean force describing protein-ligand interactions: I.Generating potential
Authors: Mitchell, JBO Laskowski, RA Alex, A Thornton, JM
Citation: Jbo. Mitchell et al., BLEEP - Potential of mean force describing protein-ligand interactions: I.Generating potential, J COMPUT CH, 20(11), 1999, pp. 1165-1176
BLEEP - Potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data
Authors: Mitchell, JBO Laskowski, RA Alex, A Forster, MJ Thornton, JM
Citation: Jbo. Mitchell et al., BLEEP - Potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data, J COMPUT CH, 20(11), 1999, pp. 1177-1185
SATIS: Atom typing from chemical connectivity
Authors: Mitchell, JBO Alex, A Snarey, M
Citation: Jbo. Mitchell et al., SATIS: Atom typing from chemical connectivity, J CHEM INF, 39(4), 1999, pp. 751-757
Electrostatic factors in DNA intercalation
Authors: Medhi, C Mitchell, JBO Price, SL Tabor, AB
Citation: C. Medhi et al., Electrostatic factors in DNA intercalation, BIOPOLYMERS, 52(2), 1999, pp. 84-93
Risultati: 1-9 |