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" R. L DesJarlais, RP Sheridan, GL Seibel, JS Dixon, ID Kuntz, and R. Venkataraghavan, Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. "
Deterministic Global Optimization - 706. lappuse
autors: Christodoulos A. Floudas - 2000 - 739 lapas
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Biologically Active Peptides: Design, Synthesis and Utilization

David B. Weiner, William V. Williams - 1993 - 382 lapas
...ID Kuntz. 1991. "Protein Docking and Complementarity," J. Mol. Biol., 221:327. 125 DesJarlais, RL, GL Seibel, ID Kuntz, PS Furth, JC Alvarez, PR Ortiz de Montellano, DL DeCamp, LM Babe and CS Craik. 1990. "Structure-Based Design of Nonpeptide Inhibitors Specific for the Human Immunodeficiency Virus...
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Retroviral Proteases

Lawrence C. Kuo, Jules A. Shafer - 1994 - 494 lapas
...positions of the amide nitrogens of Ile-50 and Ile-50', the position of one of the conserved water 42 RL DesJarlais, GL Seibel, ID Kuntz, PS Furth, JC Alvarez, PR Ortiz de Montellano, DL DeCamp, LM Babe, and SC Craik, Proc. Natl. Acad. Sci. USA 87,6644(1990). [10] X-RAY STRUCTURES OF RETROVIRAL PROTEASES Two-told...
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Mathematical Support for Molecular Biology: Papers Related to the Special ...

Martin Farach-Colton - 1999 - 308 lapas
...McCammon. Electrostatics in biomolecutar structure and dgnamics, Chem. Rev. 90 (1990). 509-521. [39] RL DesJarlais, GL SeibeL ID Kuntz. PS Furth, JC Alvarez,...design of nonpeptide inhibitors specific for the human immunodeficienc9 eirus-1 protease, Proc. NatL Acad. Sci, USA 87 (1990). 6644-6648. '40] R. L DesJarlais....
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Computational Methods for Protein Folding, Volume 120

Richard A. Friesner - 2004 - 544 lapas
...molecular surface patterns. / MoL BioL 225. 849-858 t19921. 204. RL DesJarlais. GL Seibel. L D. Kontz. PS Furth. JC Alvarez. PR Ortiz de Montellano. DL Decamp. LM Babe. and CS Craik. Structure hased design of nonpeptide inhibitors specific for the human immunodeficiency virus- 1 protease. Proc....
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Protein Structure: Determination, Analysis, and Applications for Drug Discovery

Daniel Chasman - 2003 - 634 lapas
...for efficient combinatorial library docking. Perspectives Drug Discovery Design 20:63-81, 2000. 166. RL DesJarlais, GL Seibel, ID Kuntz, PS Furth, JC Alvarez, PR Ortiz de Montellano, DL DeCamp, LM Babe, CS Craik. Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus...
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Computational Methods for Protein Folding, Volume 120

Richard A. Friesner - 2004 - 544 lapas
...Docking by least-squares fitting of molecular surface patterns. J. Mol. Biol. 225, 849-858 (1992). 204. RL DesJarlais, GL Seibel, ID Kuntz, PS Furth, JC Alvarez,...inhibitors specific for the human immunodeficiency virus- 1 protease. Proc. Natl. Acad. Sci. USA 87, 6644-6648 (1990). 205. R. L DesJarlais, RP Sheridan,...
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