A Computational Ensemble Pharmacophore Model for Identifying Substrates of P-Glycoprotein von Penzotti, Julie E, Lamb, Michelle L, Evensen, Erik, Grootenhuis, Peter D. J

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A Rapid Computational Method for Lead Evolution:  Description and Application to α1-Adrenergic Antagonists von Bradley, Erin K, Beroza, Paul, Penzotti, Julie E, Grootenhuis, Peter D. J, Spellmeyer, David C, Miller, Jennifer L

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A Structural Snapshot of an Intermediate on the Streptavidin-Biotin Dissociation Pathway von Freitag, Stefanie, Chu, Vano, Penzotti, Julie E., Klumb, Lisa A., To, Richard, Hyre, David, Le Trong, Isolde, Lybrand, Terry P., Stenkamp, Ronald E., Stayton, Patrick S.

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Machine-learning models for combinatorial catalyst discovery von Landrum, Gregory A, Penzotti, Julie E, Putta, Santosh

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Feature-map vectors: a new class of informative descriptors for computational drug discovery von Landrum, Gregory A, Penzotti, Julie E, Putta, Santosh

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Conformation Mining:  An Algorithm for Finding Biologically Relevant Conformations von Putta, Santosh, Landrum, Gregory A, Penzotti, Julie E

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Active Site of Bee Venom Phospholipase A2:  The Role of Histidine-34, Aspartate-64 and Tyrosine-87 von Annand, Robert R, Kontoyianni, Maria, Penzotti, Julie E, Dudler, Thomas, Lybrand, Terry P, Gelb, Michael H

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Early mechanistic events in biotin dissociation from streptavidin von Stenkamp, Ronald E, Lybrand, Terry P, Stayton, Patrick S, Hyre, David E, Amon, Lynn M, Penzotti, Julie E, Le Trong, Isolde

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Structural Basis of Specificity and Degeneracy of T Cell Recognition: Pluriallelic Restriction of T Cell Responses to a Peptide Antigen Involves Both Specific and Promiscuous Inter... von Doherty, Derek G, Penzotti, Julie E, Koelle, David M, Kwok, William W, Lybrand, Terry P, Masewicz, Susan, Nepom, Gerald T

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Three-Dimensional Models for Agonist and Antagonist Complexes with β2 Adrenergic Receptor von Kontoyianni, Maria, DeWeese, Carol, Penzotti, Julie E, Lybrand, Terry P

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Lead-Discovery of bis-Aromatic Alkynes: A Novel Class of Herbicides von Glock, Jutta, Grootenhuis, Peter D. J., Bondy, Steven, Comer, Daniel D., Cheng, Soan, Steiger, Arthur, Zeller, Martin, Laue, Grit, Friedmann, Adrian, Jacob, Olivier, Nina, Mafalda, Widmer, Hans-Jürg, Kreuz, Klaus, Penzotti, Julie E., Brunner, Hans, Allen, James, Niderman, Thierry, Haas, Hans Ulrich, Chollet, Renold, Eberle, Martin, Renold, Peter, Lutz, William, Ehrler, Jürg, Valentini, Marian, Walti, Markus, Sieger, Evelyne, Vettiger, Thomas, Craig, G. Wayne

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A Molecular Model of Myelin Oligodendrocyte Glycoprotein von Hjelmström, Peter, Penzotti, Julie E., Henne, Randal M., Lybrand, Terry P.

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Streptavidin–biotin binding energetics von Stayton, Patrick S, Freitag, Stefanie, Klumb, Lisa A, Chilkoti, Ashutosh, Chu, Vano, Penzotti, Julie E, To, Richard, Hyre, David, Le Trong, Isolde, Lybrand, Terry P, Stenkamp, Ronald E

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A Structural Model for TCR Recognition of the HLA Class II Shared Epitope Sequence Implicated in Susceptibility to Rheumatoid Arthritis von Penzotti, Julie E., Doherty, Derek, Lybrand, Terry P., Nepom, Gerald T.

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A Rapid Computational Method for Lead Evolution:  Description and Application to α 1 -Adrenergic Antagonists von Bradley, Erin K., Beroza, Paul, Penzotti, Julie E., Grootenhuis, Peter D. J., Spellmeyer, David C., Miller, Jennifer L.

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Three-dimensional models for agonist and antagonist complexes with beta 2 adrenergic receptor von Kontoyianni, M, DeWeese, C, Penzotti, J E, Lybrand, T P

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Active Site of Bee Venom Phospholipase A 2 :  The Role of Histidine-34, Aspartate-64 and Tyrosine-87 von Annand, Robert R., Kontoyianni, Maria, Penzotti, Julie E., Dudler, Thomas, Lybrand, Terry P., Gelb, Michael H.

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A generalized electrocardiographic spherical shells model with emphasis on the paced infarcted heart von Juhlin, S.P., Malkin, R.A., Penzotti, J.E., Pilkington, T.C., Plonsey, R.

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Use of T cell receptor/HLA‐DRB104 molecular modeling to predict site‐specific interactions for the DR shared epitope associated with rheumatoid arthritis von Penzotti, Julie E., Nepom, Gerald T., Lybrand, Terry P.

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Use of T cell receptor/HLA-DRB104 molecular modeling to predict site-specific interactions for the DR shared epitope associated with rheumatoid arthritis von PENZOTTI, J. E, NEPOM, G. T, LYBRAND, T. P

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