J. Penzotti

发表

A rapid computational method for lead evolution: description and application to alpha(1)-adrenergic antagonists.

P. Beroza, D. Spellmeyer, E. Bradley, 2000, Journal of medicinal chemistry.

Use of T cell receptor/HLA-DRB1*04 molecular modeling to predict site-specific interactions for the DR shared epitope associated with rheumatoid arthritis.

T. Lybrand, J. Penzotti, G. Nepom, 1997, Arthritis and rheumatism.

Active site of bee venom phospholipase A2: the role of histidine-34, aspartate-64 and tyrosine-87.

T. Lybrand, M. Gelb, J. Penzotti, 1996, Biochemistry.

A structural model for TCR recognition of the HLA class II shared epitope sequence implicated in susceptibility to rheumatoid arthritis.

T. Lybrand, J. Penzotti, D. Doherty, 1996, Journal of autoimmunity.

A generalized electrocardiographic spherical shells model with emphasis on the paced infarcted heart

T. Pilkington, R. Plonsey, R. Malkin, 1993, Proceedings of Computers in Cardiology Conference.

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 interactions between the T cell receptor, peptide, and HLA-DR.

T. Lybrand, J. Penzotti, D. Doherty, 1998, Journal of immunology.

Structural differences between HLA-DQ molecules associated with myasthenia gravis characterized by molecular modeling

T. Lybrand, J. Penzotti, C. Sanjeevi, 1998, Journal of Neuroimmunology.

Feature-map vectors: a new class of informative descriptors for computational drug discovery

Santosh Putta, Gregory A. Landrum, Julie Penzotti, 2007, J. Comput. Aided Mol. Des..

A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein.

Erik Evensen, J. Penzotti, P. Grootenhuis, 2002, Journal of medicinal chemistry.

Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?

S. Kazmirski, J. Penzotti, H. Tecle, 2009, Bioorganic & medicinal chemistry letters.

Building predictive ADMET models for early decisions in drug discovery.

Gregory A Landrum, J. Penzotti, S. Putta, 2004, Current opinion in drug discovery & development.

Machine-learning models for combinatorial catalyst discovery

Santosh Putta, Gregory A. Landrum, Julie E. Penzotti, 2003 .

Streptavidin-biotin binding energetics.

T. Lybrand, J. Penzotti, A. Chilkoti, 1999, Biomolecular engineering.

A structural snapshot of an intermediate on the streptavidin-biotin dissociation pathway.

T. Lybrand, J. Penzotti, D. Hyre, 1999, Proceedings of the National Academy of Sciences of the United States of America.

Predicting ADME properties and side effects: the BioPrint approach.

Dragos Horvath, Frédérique Barbosa, Boryeu Mao, 2003, Current opinion in drug discovery & development.

Conformation mining: an algorithm for finding biologically relevant conformations.

Gregory A Landrum, J. Penzotti, S. Putta, 2005, Journal of medicinal chemistry.

N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists.

J. Penzotti, P. Grootenhuis, H. Wong, 2004, Journal of medicinal chemistry.