A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules von Cornell, Wendy D, Cieplak, Piotr, Bayly, Christopher I, Gould, Ian R, Merz, Kenneth M, Ferguson, David M, Spellmeyer, David C, Fox, Thomas, Caldwell, James W, Kollman, Peter A

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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery von Martin, Eric J, Blaney, Jeffrey M, Siani, Michael A, Spellmeyer, David C, Wong, Alex K, Moos, Walter H

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Discovery of Nanomolar Ligands for 7-Transmembrane G-Protein-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library von Zuckermann, Ronald N, Martin, Eric J, Spellmeyer, David C, Stauber, Gregory B, Shoemaker, Kevin R, Kerr, Janice M, Figliozzi, Gianine M, Goff, Dane A, Siani, Michael A, Simon, Reyna J, Banville, Steven C, Brown, Edward G, Wang, Liang, Richter, Lutz S, Moos, Walter H

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Peptoids: A Modular Approach to Drug Discovery von Simon, Reyna J., Kania, Robert S., Zuckermann, Ronald N., Huebner, Verena D., Jewell, David A., Banville, Steven, Ng, Simon, Wang, Liang, Rosenberg, Steven, Marlowe, Charles K., Spellmeyer, David C., Tan, Ruoying, Frankel, Alan D., Santi, Daniel V., Cohen, Fred E., Bartlett, Paul A.

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Force-field model for intramolecular radical additions von Spellmeyer, D. C, Houk, K. N

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Substituent Effects on Rates and Stereoselectivities of Conrotatory Electrocyclic Reactions of Cyclobutenes. A Theoretical Study von Niwayama, Satomi, Kallel, E. Adam, Spellmeyer, David C, Sheu, Chimin, Houk, K. N

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A rapid computational method for lead evolution: description and application to alpha(1)-adrenergic antagonists von Bradley, E K, Beroza, P, Penzotti, J E, Grootenhuis, P D, Spellmeyer, D C, Miller, J L

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Energy component analysis for dilute aqueous solutions of Li+, Na+F-, and Cl- ions von CHANDRASEKHAR, J, SPELLMEYER, D. C, JORGENSEN, W. L

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Theory and Modeling of Stereoselective Organic Reactions von Houk, Kendall N., Paddon-Row, Michael N., Rondan, Nelson G., Wu, Yun-Dong, Brown, Frank K., Spellmeyer, David C., Metz, James T., Li, Yi, Loncharich, Richard J.

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TORQUOSELECTIVITY IN THE ELECTROCYCLIC CONVERSION OF BENZOCYCLOBUTENES TO ORTHO-XYLYLENES von JEFFORD, CW, BERNARDINELLI, G, WANG, Y, SPELLMEYER, DC, BUDA, A, HOUK, KN

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Conformational analysis using distance geometry methods von Spellmeyer, David C., Wong, Alex K., Bower, Michael J., Blaney, Jeffrey M.

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Prediction and experimental verification of the stereoselective electrocyclization of 3-formylcyclobutene von Rudolf, Klaus, Spellmeyer, David C, Houk, K. N

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NMR structural characterization of oligo-N-substituted glycine lead compounds from a combinatorial library von Bradley, E K, Kerr, J M, Richter, L S, Figliozzi, G M, Goff, D A, Zuckermann, R N, Spellmeyer, D C, Blaney, J M

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Electrocyclic ring openings of dialkylcyclobutenes: anomalies explained von Kallel, E. Adam, Wang, Ying, Spellmeyer, David C, Houk, K. N

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Theoretical transition structures for radical additions to alkenes von Houk, Kendall N, Paddon-Row, Michael N, Spellmeyer, D. C, Rondan, Nelson G, Nagase, Shigeru

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Applications of random sampling to virtual screening of combinatorial libraries von Beroza, P, Bradley, E K, Eksterowicz, J E, Feinstein, R, Greene, J, Grootenhuis, P D, Henne, R M, Mount, J, Shirley, W A, Smellie, A, Stanton, R V, Spellmeyer, D C

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Electronic control of the stereoselectivities of electrocyclic reactions of cyclobutenes against incredible steric odds von Houk, K. N, Spellmeyer, David C, Jefford, Charles W, Rimbault, C. G, Wang, Ying, Miller, R. D

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Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states von Houk, K. N, Rondan, Nelson G, Brown, Frank K, Jorgensen, William L, Madura, Jeffry D, Spellmeyer, David C

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Endothelin receptor ligands. replacement net approach to SAR determination of potent hexapeptides von Spellmeyer, David C., Brown, Suzy, Stauber, Gregory B., Geysen, H.Mario, Valerio, Robert

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Experimental and theoretical studies of substituent effects on an orbital-symmetry-forbidden electrocyclization von Spellmeyer, David C, Houk, K. N, Rondan, Nelson G, Miller, R. D, Franz, Lothar, Fickes, G. N

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