Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
Friesner, Richard A, Murphy, Robert B, Repasky, Matthew P, Frye, Leah L, Greenwood, Jeremy R, Halgren, Thomas A, Sanschagrin, Paul C, Mainz, Daniel T
Published in Journal of medicinal chemistry (19.10.2006)
Published in Journal of medicinal chemistry (19.10.2006)
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Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules
Shelley, John C, Cholleti, Anuradha, Frye, Leah L, Greenwood, Jeremy R, Timlin, Mathew R, Uchimaya, Makoto
Published in Journal of computer-aided molecular design (01.12.2007)
Published in Journal of computer-aided molecular design (01.12.2007)
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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
Halgren, Thomas A, Murphy, Robert B, Friesner, Richard A, Beard, Hege S, Frye, Leah L, Pollard, W. Thomas, Banks, Jay L
Published in Journal of medicinal chemistry (25.03.2004)
Published in Journal of medicinal chemistry (25.03.2004)
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Binding Site Elucidation of Hydantoin-Based Antagonists of LFA-1 Using Multidisciplinary Technologies: Evidence for the Allosteric Inhibition of a Protein−Protein Interaction
Last-Barney, Kathleen, Davidson, Walter, Cardozo, Mario, Frye, Leah L, Grygon, Christine A, Hopkins, Jerry L, Jeanfavre, Deborah D, Pav, Susan, Qian, Chungeng, Stevenson, James M, Tong, Liang, Zindell, Renee, Kelly, Terence A
Published in Journal of the American Chemical Society (20.06.2001)
Published in Journal of the American Chemical Society (20.06.2001)
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Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity
Carney, Daniel W., Leffler, Abba E., Bell, Jeffrey A., Chandrasinghe, Asela S., Cheng, Cecilia, Chang, Edcon, Dornford, Adam, Dougan, Douglas R., Frye, Leah L., Grimes, Mary E., Knehans, Tim, Knight, Jennifer L., Komandla, Mallareddy, Lane, Weston, Li, Hubert, Newman, Sophia R., Phimister, Katalin, Saikatendu, Kumar S., Silverstein, Hercules, Vafaei, Shaghayegh
Published in Bioorganic & medicinal chemistry (01.04.2024)
Published in Bioorganic & medicinal chemistry (01.04.2024)
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Structure-Based Identification and Neutralization Mechanism of Tyrosine Sulfate Mimetics That Inhibit HIV-1 Entry
Acharya, Priyamvada, Dogo-Isonagie, Cajetan, LaLonde, Judith M, Lam, Son N, Leslie, George J, Louder, Mark K, Frye, Leah L, Debnath, Asim K, Greenwood, Jeremy R, Luongo, Timothy S, Martin, Loïc, Watts, K. Shawn, Hoxie, James A, Mascola, John R, Bewley, Carole A, Kwong, Peter D
Published in ACS chemical biology (21.10.2011)
Published in ACS chemical biology (21.10.2011)
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Design and Synthesis of Dipeptide Nitriles as Reversible and Potent Cathepsin S Inhibitors
Ward, Yancey D, Thomson, David S, Frye, Leah L, Cywin, Charles L, Morwick, Tina, Emmanuel, Michel J, Zindell, Renée, McNeil, Daniel, Bekkali, Younes, Hrapchak, Matt, DeTuri, Molly, Crane, Kathy, White, Della, Pav, Susan, Wang, Yong, Hao, Ming-Hong, Grygon, Christine A, Labadia, Mark E, Freeman, Dorothy M, Davidson, Walter, Hopkins, Jerry L, Brown, Maryanne L, Spero, Denice M
Published in Journal of medicinal chemistry (05.12.2002)
Published in Journal of medicinal chemistry (05.12.2002)
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Synthesis of 24.xi.-Squalamine, an Anti-Infective Steroidal Polyamine
Pechulis, Anthony D, Bellevue, Frank H, Cioffi, Christopher L, Trapp, Sean G, Fojtik, John P, McKitty, Anthony A, Kinney, William A, Frye, Leah L
Published in Journal of organic chemistry (01.08.1995)
Published in Journal of organic chemistry (01.08.1995)
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Journal Article
Design and Synthesis of Dipeptide Nitriles as Reversible and Potent Cathepsin S Inhibitors
Ward, Yancey D, Thomson, David S, Frye, Leah L, Cywin, Charles L, Morwick, Tina, Emmanuel, Michel J, Zindell, Renée, McNeil, Daniel, Bekkali, Younes, Girardot, Marc, Hrapchak, Matt, DeTuri, Molly, Crane, Kathy, White, Della, Pav, Susan, Wang, Yong, Hao, Ming-Hong, Grygon, Christine A, Labadia, Mark E, Freeman, Dorothy M, Davidson, Walter, Hopkins, Jerry L, Brown, Maryanne L, Spero, Denice M
Published in Journal of medicinal chemistry (27.02.2003)
Published in Journal of medicinal chemistry (27.02.2003)
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The design, synthesis and transmembrane transport studies of a biomimetic sterol-based ion channel
Pechulis, Anthony D., Thompson, Richele J., Fojtik, John P., Schwartz, Herbert M., Lisek, Carol A., Frye, Leah L.
Published in Bioorganic & medicinal chemistry (01.10.1997)
Published in Bioorganic & medicinal chemistry (01.10.1997)
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32-Methyl-32-oxylanosterols: dual-action inhibitors of cholesterol biosynthesis
Frye, Leah L, Cusack, Kevin P, Leonard, Deborah A
Published in Journal of medicinal chemistry (05.02.1993)
Published in Journal of medicinal chemistry (05.02.1993)
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Epik: a software program for pK sub(a) prediction and protonation state generation for drug-like molecules
Shelley, John C, Cholleti, Anuradha, Frye, Leah L, Greenwood, Jeremy R, Timlin, Mathew R, Uchimaya, Makoto
Published in Journal of computer-aided molecular design (01.12.2007)
Published in Journal of computer-aided molecular design (01.12.2007)
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3-(1H-INDOLE-2-CARBONYL)-6,6-DIMETHYL-N-((S)-1-OXO-3-((S)-2-OXOPYRROLIDIN-3-YL)P ROPAN-2-YL)-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE DERIVATIVES AS MPRO INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS
CARNEY, Daniel, KOMANDLA, Mallareddy, FRYE, Leah L, CHANG, Edcon, LEFFLER, Abba
Year of Publication 21.03.2024
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Year of Publication 21.03.2024
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