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
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
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
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
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
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
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