Search Results - "Watts, K. Shawn"

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers by Watts, K. Shawn, Dalal, Pranav, Murphy, Robert B, Sherman, Woody, Friesner, Rich A, Shelley, John C

“…We describe the methodology, parametrization, and application of a conformational search method, called ConfGen, designed to efficiently generate bioactive…”
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Macrocycle Conformational Sampling with MacroModel by Watts, K. Shawn, Dalal, Pranav, Tebben, Andrew J, Cheney, Daniel L, Shelley, John C

“…Sampling low energy conformations of macrocycles is challenging due to the large size of many of these molecules and the constraints imposed by the macrocycle…”
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cis,cis- and trans,trans-Ceratospongamide, New Bioactive Cyclic Heptapeptides from the Indonesian Red Alga Ceratodictyon spongiosum and Symbiotic Sponge Sigmadocia symbiotica by TAN, Lik Tong, WILLIAMSON, R. Thomas, GERWICK, William H., WATTS, K. Shawn, MCGOUGH, Kevin, JACOBS, Robert

“…Chemical investigation of the marine red alga (Rhodophyta) Ceratodictyon spongiosum containing the symbiotic sponge Sigmadocia symbiotica collected from Biaro…”
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Structure-Based Identification and Neutralization Mechanism of Tyrosine Sulfate Mimetics That Inhibit HIV-1 Entry by 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

“…Tyrosine sulfate-mediated interactions play an important role in HIV-1 entry. After engaging the CD4 receptor at the cell surface, the HIV-1 gp120 glycoprotein…”
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cis,cis- and trans,trans-Ceratospongamide, New Bioactive Cyclic Heptapeptides from the Indonesian Red Alga Ceratodictyon s pongiosum and Symbiotic Sponge Sigmadocia s ymbiotica by Tan, Lik Tong, Williamson, R. Thomas, Gerwick, William H, Watts, K. Shawn, McGough, Kevin, Jacobs, Robert

“…Chemical investigation of the marine red alga (Rhodophyta) Ceratodictyon spongiosum containing the symbiotic sponge Sigmadocia symbiotica collected from Biaro…”
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