Comparison of Topological, Shape, and Docking Methods in Virtual Screening

  • Georgia B. McGaughey
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Robert P. Sheridan
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Christopher I. Bayly
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • J. Chris Culberson
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Constantine Kreatsoulas
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Stacey Lindsley
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Vladimir Maiorov
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Jean-Francois Truchon
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1
  • Wendy D. Cornell
    Department of Molecular Systems, WP53F-301, Merck Research Laboratories, West Point, Pennsylvania 19486, Department of Molecular Systems, RY50SW-100, Merck Research Laboratories, Rahway, New Jersey 07065, and Medicinal Chemistry, Merck Frosst, Canada H9H 3L1

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