A novel selective 11β-hydroxysteroid dehydrogenase type 1 inhibitor prevents human adipogenesis von Bujalska, I J, Gathercole, L L, Tomlinson, J W, Darimont, C, Ermolieff, J, Fanjul, A N, Rejto, P A, Stewart, P M

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Deciphering common failures in molecular docking of ligand-protein complexes von Verkhivker, G M, Bouzida, D, Gehlhaar, D K, Rejto, P A, Arthurs, S, Colson, A B, Freer, S T, Larson, V, Luty, B A, Marrone, T, Rose, P W

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Unraveling Principles of Lead Discovery: From Unfrustrated Energy Landscapes to Novel Molecular Anchors von Rejto, Paul A., Verkhivker, Gennady M.

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Structure-Based Design, Synthesis, and Biological Evaluation of Irreversible Human Rhinovirus 3C Protease Inhibitors. 4. Incorporation of P1 Lactam Moieties as l-Glutamine Replacem... von Dragovich, Peter S, Prins, Thomas J, Zhou, Ru, Webber, Stephen E, Marakovits, Joseph T, Fuhrman, Shella A, Patick, Amy K, Matthews, David A, Lee, Caroline A, Ford, Clifford E, Burke, Benjamin J, Rejto, Paul A, Hendrickson, Thomas F, Tuntland, Tove, Brown, Edward L, Meador, James W, Ferre, Rose Ann, Harr, James E. V, Kosa, Maha B, Worland, Stephen T

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Crystal Structure of Human ABAD/HSD10 with a Bound Inhibitor: Implications for Design of Alzheimer's Disease Therapeutics von Kissinger, Charles R., Rejto, Paul A., Pelletier, Laura A., Thomson, James A., Showalter, Richard E., Abreo, Melwyn A., Agree, Charles S., Margosiak, Stephen, Meng, Jerry J., Aust, Robert M., Vanderpool, Darin, Li, Bin, Tempczyk-Russell, Anna, Villafranca, J. Ernest

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A Mean Field Model of Ligand-Protein Interactions: Implications for the Structural Assessment of Human Immunodeficiency Virus Type 1 Protease Complexes and Receptor-Specific Bindin... von Verkhivker, Gennady M., Rejto, Paul A.

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Visualization of fast energy flow and solvent caging in unimolecular dynamics von Rejto, Paul A, Bindewald, Eckart, Chandler, David

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Protein conformational substates from X-ray crystallography von Rejto, Paul A., Freer, Stephan T.

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Hierarchy of Simulation Models in Predicting Structure and Energetics of the Src SH2 Domain Binding to Tyrosyl Phosphopeptides von Verkhivker, Gennady M, Bouzida, Djamal, Gehlhaar, Daniel K, Rejto, Paul A, Schaffer, Lana, Arthurs, Sandra, Colson, Anthony B, Freer, Stephan T, Larson, Veda, Luty, Brock A, Marrone, Tami, Rose, Peter W

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Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains von Verkhivker, Gennady M., Bouzida, Djamal, Gehlhaar, Daniel K., Rejto, Paul A., Schaffer, Lana, Arthurs, Sandra, Colson, Anthony B., Freer, Stephan T., Larson, Veda, Luty, Brock A., Marrone, Tami, Rose, Peter W.

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Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions von Verkhivker, Gennady M., Rejto, Paul A., Bouzida, Djamal, Arthurs, Sandra, Colson, Anthony B., Freer, Stephan T., Gehlhaar, Daniel K., Larson, Veda, Luty, Brock A., Marrone, Tami, Rose, Peter W.

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Interatomic potentials and the phase diagram of Xe/Pt(111) von REJTO, P. A, ANDERSEN, H. C

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Simulating Disorder-Order Transitions in Molecular Recognition of Unstructured Proteins: Where Folding Meets Binding von Verkhivker, Gennady M., Bouzida, Djamal, Gehlhaar, Daniel K., Rejto, Paul A., Freer, Stephan T., Rose, Peter W.

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Structural consensus in ligand-protein docking identifies recognition peptide motifs that bind streptavidin von Shah, Nirav K., Rejto, Paul A., Verkhivker, Gennady M.

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Antisense inhibition of 11βhydroxysteroid dehydrogenase type 1 improves diabetes in a novel cortisone-induced diabetic KK mouse model von Bhat, B. Ganesh, Younis, Husam, Herrera, Jocelyn, Palacio, Kimbie, Pascual, Bernadette, Hur, George, Jessen, Bart, Ogilvie, Kathleen M., Rejto, Paul A.

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Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective von Verkhivker, Gennady M, Bouzida, Djamal, Gehlhaar, Daniel K, Rejto, Paul A, Freer, Stephan T, Rose, Peter W

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On the essential spectrum of the hydrogen energy and related operators von Rejto, Peter

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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming von Gehlhaar, Daniel K., Verkhivker, Gennady M., Rejto, Paul A., Sherman, Christopher J., Fogel, David R., Fogel, Lawrence J., Freer, Stephan T.

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