Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods:  An Analysis of ALOGP and CLOGP Methods von Ghose, Arup K, Viswanadhan, Vellarkad N, Wendoloski, John J

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Efficiency of signalling through cytokine receptors depends critically on receptor orientation von Syed, Rashid S, Reid, Scott W, Li, Cuiwei, Cheetham, Janet C, Aoki, Kenneth H, Liu, Beishan, Zhan, Hangjun, Osslund, Timothy D, Chirino, Arthur J, Zhang, Jiandong, Finer-Moore, Janet, Elliott, Steven, Sitney, Karen, Katz, Bradley A, Matthews, David J, Wendoloski, John J, Egrie, Joan, Stroud, Robert M

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Identification of Compounds with Nanomolar Binding Affinity for Checkpoint Kinase-1 Using Knowledge-Based Virtual Screening von Lyne, Paul D., Kenny, Peter W., Cosgrove, David A., Deng, Chun, Zabludoff, Sonya, Wendoloski, John J., Ashwell, Susan

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1.56 Å structure of mature truncated human fibroblast collagenase von Spurlino, John C., Smallwood, Angela M., Carlton, Dennis D., Banks, Tracey M., Vavra, Karen J., Johnson, Jeffrey S., Cook, Ewell R., Falvo, Joseph, Wahl, Robert C., Pulvino, Tricia A., Wendoloski, John J., Smith, Douglas L.

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The iron-quinone electron-acceptor complex of photosystem II von Diner, Bruce A., Petrouleas, Vasili, Wendoloski, John J.

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Enthalpies of formation of fused cyclobutane derivatives von Wiberg, Kenneth B, Wendoloski, John J

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Prediction of Solvation Free Energies of Small Organic Molecules:  Additive-Constitutive Models Based on Molecular Fingerprints and Atomic Constants von Viswanadhan, Vellarkad N, Ghose, Arup K, Singh, U. Chandra, Wendoloski, John J

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Charge redistribution in the molecular vibrations of acetylene, ethylene, ethane, methane, silane and the ammonium ion. Signs of the M-H bond moments von Wiberg, Kenneth B, Wendoloski, John J

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Determination of Pharmacophoric Geometry for Collagenase Inhibitors Using a Novel Computational Method and Its Verification Using Molecular Dynamics, NMR, and X-ray Crystallography von Ghose, Arup K, Logan, Margaret E, Treasurywala, Adi M, Wang, Hsin, Wahl, Robert C, Tomczuk, Bruce E, Gowravaram, Madhusudhan R, Jaeger, Edward P, Wendoloski, John J

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The iron-quinone electron-acceptor complex of photosystem II von DINER, B. A, PETROULEAS, V, WENDOLOSKI, J. J

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Geometry and electronic structure of (CO)3NiCH2. A model transition-metal carbene von Spangler, Dale, Wendoloski, John J, Dupuis, Michel, Chen, Maynard M. L, Schaefer, Henry F

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Electronic states of organic molecules. I. Potential functions for the deformation of methane von Wiberg, Kenneth B, Ellison, G. Barney, Wendoloski, John J

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Electronic states of organic molecules. 6. Analysis of infrared intensities. The hybrid orbital rehybridization model. Charge distribution in molecules von Wiberg, Kenneth B, Wendoloski, John J

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Molecular dynamics effects on protein electrostatics von Wendoloski, John J., Matthew, James B.

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Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes von Wiberg, Kenneth B, Ellison, G. Barney, Wendoloski, John J, Brundle, C. R, Kuebler, N. A

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Effect of Basis Set on Electron Populations Calculated by Using Bader's Criterion for Partitioning Electron Density between Atoms von Wiberg, Kenneth B., Wendoloski, John J.

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Vibrational intensities of cyclopropene. A molecular force field and dipole moment derivatives von Wiberg, Kenneth B, Dempsey, Richard C, Wendoloski, John J

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Electronic states of organic molecules. 2. Vibrational intensities for ethylene von Wiberg, Kenneth B, Wendoloski, John J

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THE FUNDAMENTALS OF PHARMACOPHORE MODELING IN COMBINATORIAL CHEMISTRY von Ghose, Arup K., Viswanadhan, Vellarkad N., Wendoloski, John J.

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Electrostatic Field Around Cytochrome c: Theory and Energy Transfer Experiment von Northrup, Scott H., Wensel, Theodore G., Meares, Claude F., Wendoloski, John J., Matthew, James B.

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