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Results: 1-22 |
Results: 22
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
Authors: Ewing, TJA Makino, S Skillman, AG Kuntz, ID
Citation: Tja. Ewing et al., DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases, J COMPUT A, 15(5), 2001, pp. 411-428
Peter Andrew Kollman - In memoriam
Authors: Kuntz, ID Case, DA
Citation: Id. Kuntz et Da. Case, Peter Andrew Kollman - In memoriam, PROTEINS, 45(1), 2001, pp. 2-3
Conformation spaces of proteins
Authors: Sullivan, DC Kuntz, ID
Citation: Dc. Sullivan et Id. Kuntz, Conformation spaces of proteins, PROTEINS, 42(4), 2001, pp. 495-511
Design, docking, and evaluation of multiple libraries against multiple targets
Authors: Lamb, ML Burdick, KW Toba, S Young, MM Skillman, KG Zou, XQ Arnold, JR Kuntz, ID
Citation: Ml. Lamb et al., Design, docking, and evaluation of multiple libraries against multiple targets, PROTEINS, 42(3), 2001, pp. 296-318
Virtual screening of combinatorial libraries across a gene family: in search of inhibitors of Giardia lamblia guanine phosphoribosyltransferase
Authors: Aronov, AM Munagala, NR Kuntz, ID Wang, CC
Citation: Am. Aronov et al., Virtual screening of combinatorial libraries across a gene family: in search of inhibitors of Giardia lamblia guanine phosphoribosyltransferase, ANTIM AG CH, 45(9), 2001, pp. 2571-2576
Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design
Authors: Bressi, JC Verlinde, CLMJ Aronov, AM Le Shaw, M Shin, SS Nguyen, LN Suresh, S Buckner, FS Van Voorhis, WC Kuntz, ID Hol, WGJ Gelb, MH
Citation: Jc. Bressi et al., Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design, J MED CHEM, 44(13), 2001, pp. 2080-2093
High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry
Authors: Young, MM Tang, N Hempel, JC Oshiro, CM Taylor, EW Kuntz, ID Gibson, BW Dollinger, G
Citation: Mm. Young et al., High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry, P NAS US, 97(11), 2000, pp. 5802-5806
Novel cathepsin D inhibitors block the formation of hyperphosphorylated tau fragments in hippocampus
Authors: Bi, XN Haque, TS Zhou, J Skillman, AG Lin, B Lee, CE Kuntz, ID Ellman, JA Lynch, G
Citation: Xn. Bi et al., Novel cathepsin D inhibitors block the formation of hyperphosphorylated tau fragments in hippocampus, J NEUROCHEM, 74(4), 2000, pp. 1469-1477
Rational design of selective submicromolar inhibitors of Tritrichomonas foetus hypoxanthine-guanine-xanthine phosphoribosyltransferase
Authors: Aronov, AM Munagala, NR de Montellano, PRO Kuntz, ID Wang, CC
Citation: Am. Aronov et al., Rational design of selective submicromolar inhibitors of Tritrichomonas foetus hypoxanthine-guanine-xanthine phosphoribosyltransferase, BIOCHEM, 39(16), 2000, pp. 4684-4691
Inhibitors of kinesin activity from structure-based computer screening
Authors: Hopkins, SC Vale, RD Kuntz, ID
Citation: Sc. Hopkins et al., Inhibitors of kinesin activity from structure-based computer screening, BIOCHEM, 39(10), 2000, pp. 2805-2814
Evaluating non-bonded parameters for zinc in DOCK
Authors: Vaz, RJ Kuntz, ID Meng, EC
Citation: Rj. Vaz et al., Evaluating non-bonded parameters for zinc in DOCK, MED CHEM RE, 9(7-8), 1999, pp. 479-489
Macromolecular docking of a three-body system: The recognition of human growth hormone by its receptor (vol 8, pg 1010, 1999)
Authors: Hendrix, DK Klein, TE Kuntz, ID
Citation: Dk. Hendrix et al., Macromolecular docking of a three-body system: The recognition of human growth hormone by its receptor (vol 8, pg 1010, 1999), PROTEIN SCI, 8(7), 1999, pp. 1566-1566
Macromolecular docking of a three-body system: The recognition of human growth hormone by its receptor
Authors: Hendrix, DK Klien, TE Kuntz, ID
Citation: Dk. Hendrix et al., Macromolecular docking of a three-body system: The recognition of human growth hormone by its receptor, PROTEIN SCI, 8(5), 1999, pp. 1010-1022
DREAM++: Flexible docking program for virtual combinatorial libraries
Authors: Makino, S Ewing, TJA Kuntz, ID
Citation: S. Makino et al., DREAM++: Flexible docking program for virtual combinatorial libraries, J COMPUT A, 13(5), 1999, pp. 513-532
Flexible ligand docking: A multistep strategy approach
Authors: Wang, J Kollman, PA Kuntz, ID
Citation: J. Wang et al., Flexible ligand docking: A multistep strategy approach, PROTEINS, 36(1), 1999, pp. 1-19
A rapid method for exploring the protein structure universe
Authors: Young, MM Skillman, AG Kuntz, ID
Citation: Mm. Young et al., A rapid method for exploring the protein structure universe, PROTEINS, 34(3), 1999, pp. 317-332
Ligand solvation in molecular docking
Authors: Shoichet, BK Leach, AR Kuntz, ID
Citation: Bk. Shoichet et al., Ligand solvation in molecular docking, PROTEINS, 34(1), 1999, pp. 4-16
The maximal affinity of ligands
Authors: Kuntz, ID Chen, K Sharp, KA Kollman, PA
Citation: Id. Kuntz et al., The maximal affinity of ligands, P NAS US, 96(18), 1999, pp. 9997-10002
Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II
Authors: Haque, TS Skillman, AG Lee, CE Habashita, H Gluzman, IY Ewing, TJA Goldberg, DE Kuntz, ID Ellman, JA
Citation: Ts. Haque et al., Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II, J MED CHEM, 42(8), 1999, pp. 1428-1440
Structure-based design of inhibitors specific for bacterial thymidylate synthase
Authors: Stout, TJ Tondi, D Rinaldi, M Barlocco, D Pecorari, P Santi, DV Kuntz, ID Stroud, RM Shoichet, BK Costi, MP
Citation: Tj. Stout et al., Structure-based design of inhibitors specific for bacterial thymidylate synthase, BIOCHEM, 38(5), 1999, pp. 1607-1617
Inclusion of solvation in ligand binding free energy calculations using the generalized-born model
Authors: Zou, XQ Sun, YX Kuntz, ID
Citation: Xq. Zou et al., Inclusion of solvation in ligand binding free energy calculations using the generalized-born model, J AM CHEM S, 121(35), 1999, pp. 8033-8043
CombiDOCK: Structure-based combinatorial docking and library design
Authors: Sun, Y Ewing, TJA Skillman, AG Kuntz, ID
Citation: Y. Sun et al., CombiDOCK: Structure-based combinatorial docking and library design, J COMPUT A, 12(6), 1998, pp. 597-604
Risultati: 1-22 |