DOCK 6: Impact of new features and current docking performance
Allen, William J., Balius, Trent E., Mukherjee, Sudipto, Brozell, Scott R., Moustakas, Demetri T., Lang, P. Therese, Case, David A., Kuntz, Irwin D., Rizzo, Robert C.
Published in Journal of computational chemistry (05.06.2015)
Published in Journal of computational chemistry (05.06.2015)
Get full text
Journal Article
DOCK 6: combining techniques to model RNA-small molecule complexes
Lang, P Therese, Brozell, Scott R, Mukherjee, Sudipto, Pettersen, Eric F, Meng, Elaine C, Thomas, Veena, Rizzo, Robert C, Case, David A, James, Thomas L, Kuntz, Irwin D
Published in RNA (Cambridge) (01.06.2009)
Published in RNA (Cambridge) (01.06.2009)
Get full text
Journal Article
Apolipoprotein (Apo) E4 Enhances Amyloid β Peptide Production in Cultured Neuronal Cells: Apoe Structure as a Potential Therapeutic Target
Shiming Ye, Huang, Yadong, Karin Müllendorff, Liming Dong, Gretchen Giedt, Meng, Elaine C., Cohen, Fred E., Kuntz, Irwin D., Weisgraber, Karl H., Mahley, Robert W.
Published in Proceedings of the National Academy of Sciences - PNAS (20.12.2005)
Published in Proceedings of the National Academy of Sciences - PNAS (20.12.2005)
Get full text
Journal Article
DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases
Ewing, T J, Makino, S, Skillman, A G, Kuntz, I D
Published in Journal of computer-aided molecular design (01.05.2001)
Published in Journal of computer-aided molecular design (01.05.2001)
Get full text
Journal Article
Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions
Rizzo, Robert C, Aynechi, Tiba, Case, David A, Kuntz, Irwin D
Published in Journal of chemical theory and computation (01.01.2006)
Published in Journal of chemical theory and computation (01.01.2006)
Get full text
Journal Article
Structure-Based Strategies for Drug Design and Discovery
Kuntz, Irwin D.
Published in Science (American Association for the Advancement of Science) (21.08.1992)
Published in Science (American Association for the Advancement of Science) (21.08.1992)
Get full text
Journal Article
Potent, Low-Molecular-Weight Non-Peptide Inhibitors of Malarial Aspartyl Protease Plasmepsin II
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
Published in Journal of medicinal chemistry (22.04.1999)
Published in Journal of medicinal chemistry (22.04.1999)
Get full text
Journal Article
Photochemically Knocking Out Glutamate Receptors in Vivo
Chambers, James J, Gouda, Hiroaki, Young, David M, Kuntz, Irwin D, England, Pamela M
Published in Journal of the American Chemical Society (03.11.2004)
Published in Journal of the American Chemical Society (03.11.2004)
Get full text
Journal Article
MOLECULAR RECOGNITION AND DOCKING ALGORITHMS
Brooijmans, Natasja, Kuntz, Irwin D
Published in Annual review of biophysics and biomolecular structure (01.01.2003)
Published in Annual review of biophysics and biomolecular structure (01.01.2003)
Get full text
Journal Article
Inhibition of Mycobacterium tuberculosis AhpD, an Element of the Peroxiredoxin Defense against Oxidative Stress
KOSHKIN, Aleksey, ZHOU, Xiao-Ti, KRAUS, Carl N, BRENNER, Jason M, BANDYOPADHYAY, Pradipta, KUNTZ, Irwin D, BARRY, Clifton E, ORTIZ DE MONTELLANO, Paul R
Published in Antimicrobial Agents and Chemotherapy (01.07.2004)
Published in Antimicrobial Agents and Chemotherapy (01.07.2004)
Get full text
Journal Article
Virtual Screening of Combinatorial Libraries across a Gene Family: in Search of Inhibitors of Giardia lamblia Guanine Phosphoribosyltransferase
ARONOV, Alex M, MUNAGALA, Narsimha R, KUNTZ, Irwin D, WANG, Ching C
Published in Antimicrobial Agents and Chemotherapy (01.09.2001)
Published in Antimicrobial Agents and Chemotherapy (01.09.2001)
Get full text
Journal Article