The Maximal Affinity of Ligands von Kuntz, I. D., Chen, K., Sharp, K. A., Kollman, P. A.

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Structure-Based Strategies for Drug Design and Discovery von Kuntz, Irwin D.

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Potent, Low-Molecular-Weight Non-Peptide Inhibitors of Malarial Aspartyl Protease Plasmepsin II von Haque, Tasir S, Skillman, A. Geoffrey, Lee, Christina E, Habashita, Hiromu, Gluzman, Ilya Y, Ewing, Todd J. A, Goldberg, Daniel E, Kuntz, Irwin D, Ellman, Jonathan A

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Structure-based identification of an inducer of the low-pH conformational change in the influenza virus hemagglutinin: irreversible inhibition of infectivity von Hoffman, L R, Kuntz, I D, White, J M

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Adenosine Analogues as Selective Inhibitors of Glyceraldehyde-3-phosphate Dehydrogenase of Trypanosomatidae via Structure-Based Drug Design von Bressi, Jerome C, Verlinde, Christophe L. M. J, Aronov, Alex M, Shaw, My Le, Shin, Sam S, Nguyen, Lisa N, Suresh, Stephen, Buckner, Frederick S, Van Voorhis, Wesley C, Kuntz, Irwin D, Hol, Wim G. J, Gelb, Michael H

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Structure-Based Inhibitor Design by Using Protein Models for the Development of Antiparasitic Agents von Ring, Christine S., Sun, Eugene, Mckerrow, James H., Lee, Garson K., Rosenthal, Philip J., Kuntz, Irwin D., Cohen, Fred E.

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Molecular Similarity Based on DOCK-Generated Fingerprints von Briem, Hans, Kuntz, Irwin D

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Inhibition of the fusion-inducing conformational change of influenza hemagglutinin by benzoquinones and hydroquinones von Bodian, Dale L, Yamasaki, R. Bryan, Buswell, Richard L, Stearns, Jay F, White, Judith M, Kuntz, I. D

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Spectroscopic Recognition of Guanine Dimeric Hairpin Quadruplexes by a Carbocyanine Dye von Chen, Qi, Kuntz, Irwin D., Shafer, Richard H.

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DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases von Ewing, T J, Makino, S, Skillman, A G, Kuntz, I D

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Structure-Based Design of Nonpeptide Inhibitors Specific for the Human Immunodeficiency Virus 1 Protease von DesJarlais, R. L., Seibel, G. L., Kuntz, I. D., Furth, P. S., Alvarez, J. C., P. R. Ortiz de Montellano, DeCamp, D. L., Babé, L. M., Craik, C. S.

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Protein docking and complementarity von Shoichet, Brian K., Kuntz, Irwin D.

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Structure-Based Discovery of Inhibitors of Thymidylate Synthase von Shoichet, Brian K., Stroud, Robert M., Santi, Daniel V., Kuntz, Irwin D., Perry, Kathy M.

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Mutational and Secondary Structural Analysis of the Basolateral Sorting Signal of the Polymeric Immunoglobulin Receptor von Aroeti, Benjamin, Kosen, Phyllis A., Kuntz, Irwin D., Cohen, Fred E., Mostov, Keith E.

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Flexible ligand docking using a genetic algorithm von Oshiro, C M, Kuntz, I D, Dixon, J S

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Novel Cathepsin D Inhibitors Block the Formation of Hyperphosphorylated Tau Fragments in Hippocampus von Bi, Xiaoning, Haque, Tasir S., Zhou, Jun, Skillman, A. Geoffrey, Lin, Bin, Lee, Christine E., Kuntz, Irwin D., Ellman, Jonathan A., Lynch, Gary

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Matching chemistry and shape in molecular docking von Shoichet, Brian K., Kuntz, Irwin D.

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Thermal expansion of a protein von Frauenfelder, Hans, Hartmann, Hermann, Karplus, Martin, Kuntz, I. D, Kuriyan, John, Parak, Fritz, Petsko, Gregory A, Ringe, Dagmar, Tilton, Robert F

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High throughput Protein Fold Identification by Using Experimental Constraints Derived from Intramolecular Cross-Links and Mass Spectrometry von Young, Malin M., Tang, Ning, Hempel, Judith C., Oshiro, Connie M., Taylor, Eric W., Kuntz, Irwin D., Gibson, Bradford W., Dollinger, Gavin

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CombiDOCK: structure-based combinatorial docking and library design von Sun, Y, Ewing, T J, Skillman, A G, Kuntz, I D

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