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
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
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
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
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
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
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
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
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