Design, Activity, and 2.8 Å Crystal Structure of a C2 Symmetric Inhibitor Complexed to HIV-1 Protease J Erickson, DJ Neidhart, J VanDrie, DJ Kempf, XC Wang, DW Norbeck, ... Science 249 (4968), 527-533, 1990 | 794 | 1990 |
Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours LM Lasko, CG Jakob, RP Edalji, W Qiu, D Montgomery, EL Digiammarino, ... Nature 550 (7674), 128-132, 2017 | 628 | 2017 |
Structure− activity landscape index: identifying and quantifying activity cliffs R Guha, JH Van Drie Journal of chemical information and modeling 48 (3), 646-658, 2008 | 360 | 2008 |
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional … JH Van Drie, D Weininger, YC Martin Journal of Computer-Aided Molecular Design 3, 225-251, 1989 | 267 | 1989 |
Computer-aided drug design: the next 20 years JH Van Drie Journal of computer-aided molecular design 21 (10), 591-601, 2007 | 232 | 2007 |
Navigating structure–activity landscapes J Bajorath, L Peltason, M Wawer, R Guha, MS Lajiness, JH Van Drie Drug Discovery Today 14 (13-14), 698-705, 2009 | 188 | 2009 |
Pharmacophore discovery-lessons learned JH Van Drie Current pharmaceutical design 9 (20), 1649-1664, 2003 | 165 | 2003 |
Approaches to virtual library design JH Van Drie, MS Lajiness Drug Discovery Today 3 (6), 274-283, 1998 | 126 | 1998 |
Inhibitors of hepatitis C virus NS3· 4A protease 2. Warhead SAR and optimization RB Perni, J Pitlik, SD Britt, JJ Court, LF Courtney, DD Deininger, ... Bioorganic & Medicinal Chemistry Letters 14 (6), 1441-1446, 2004 | 104 | 2004 |
Assessing how well a modeling protocol captures a structure− activity landscape R Guha, JH Van Drie Journal of chemical information and modeling 48 (8), 1716-1728, 2008 | 91 | 2008 |
Inhibitors of serine proteases, particularly HCV NS3-NS4A protease J Pitlik, KM Cottrell, LJ Farmer, RB Perni, LF Courtney, JH Van Drie, ... US Patent 7,273,885, 2007 | 89 | 2007 |
Inhibitors of hepatitis C virus NS3· 4A protease. Part 3: P2 proline variants RB Perni, LJ Farmer, KM Cottrell, JJ Court, LF Courtney, DD Deininger, ... Bioorganic & Medicinal Chemistry Letters 14 (8), 1939-1942, 2004 | 74 | 2004 |
Bridged bicyclic serine protease inhibitors LJ Farmer, J Pitlik, RB Perni, LF Courtney, J Van Drie US Patent 6,909,000, 2005 | 71 | 2005 |
Strategies for the determination of pharmacophoric 3D database queries JHV Drie Journal of computer-aided molecular design 11, 39-52, 1997 | 70 | 1997 |
Monty Kier and the origin of the pharmacophore concept JH Van Drie Internet Electronic Journal of Molecular Design 6 (9), 271-279, 2007 | 69 | 2007 |
Cryo-EM as a powerful tool for drug discovery JH Van Drie, L Tong Bioorganic & medicinal chemistry letters 30 (22), 127524, 2020 | 67 | 2020 |
Discovery of spiro oxazolidinediones as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases MR Michaelides, A Kluge, M Patane, JH Van Drie, C Wang, TM Hansen, ... ACS medicinal chemistry letters 9 (1), 28-33, 2018 | 66 | 2018 |
Enhancement of binary QSAR analysis by a GA-based variable selection method H Gao, MS Lajiness, J Van Drie Journal of Molecular Graphics and Modelling 20 (4), 259-268, 2002 | 66 | 2002 |
Protein folding, protein homeostasis, and cancer JH Van Drie Chinese journal of cancer 30 (2), 124, 2011 | 56 | 2011 |
Inhibitors of hepatitis C virus NS3· 4A protease 1. Non-Charged tetrapeptide variants RB Perni, SD Britt, JC Court, LF Courtney, DD Deininger, LJ Farmer, ... Bioorganic & Medicinal Chemistry Letters 13 (22), 4059-4063, 2003 | 56 | 2003 |