Glide: A new paradigm for rapid, accurate docking and scoring in database screening.

被引：0
|
作者：
Halgren, TA
Murphy, RB
Banks, J
Mainz, D
Klicic, J
Perty, JK
Friesner, RA
机构：
[1] Schrodinger, New York, NY 10036 USA
[2] Columbia Univ, Dept Chem, New York, NY 10027 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 224卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
042-CINF
引用
收藏
页码：U345 / U345
页数：1
相关论文
共 27 条
  • [21] A deep learning and docking simulation-based virtual screening strategy enables the rapid identification of HIF-1α pathway activators from a marine natural product database
    Neelakandan, A. R.
    Rajanikant, G. K.
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (02): : 629 - 651
  • [22] Rapid Screening and Identification of Paralytic Shellfish Poisoning Toxins in Red Tide Algae Using Hydrophilic Interaction Liquid Chromatography-High Resolution Mass Spectrometry with an Accurate-Mass Database
    Li Zhao-Yong
    Chen Jun-Hui
    Li Xin
    Zhang Ru-Tan
    Chen Chen
    Shi Qian
    Wang Shuai
    Zheng Li
    Wang Xiao-Ru
    CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2013, 41 (07) : 979 - 984
  • [23] Computational design of new protein kinase D 1 (PKD1) inhibitors: homology-based active site prediction, energy-optimized pharmacophore, docking and database screening
    Navriti Nalini
    Malkeet Singh Chadha
    Maninder Bahia
    Renu Kaur
    Om Bahadur
    Molecular Diversity, 2018, 22 : 47 - 56
  • [24] Computational design of new protein kinase D 1 (PKD1) inhibitors: homology-based active site prediction, energy-optimized pharmacophore, docking and database screening
    Nalini
    Chadha, Navriti
    Bahia, Malkeet Singh
    Kaur, Maninder
    Bahadur, Renu
    Silakari, Om
    MOLECULAR DIVERSITY, 2018, 22 (01) : 47 - 56
  • [25] Use of Optical Imaging Technology in the Validation of a New, Rapid, Cost-Effective Drug Screen as Part of a Tiered In Vivo Screening Paradigm for Development of Drugs To Treat Cutaneous Leishmaniasis
    Caridha, Diana
    Parriot, Sandi
    Hudson, Thomas H.
    Lang, Thierry
    Ngundam, Franklyn
    Leed, Susan
    Sena, Jenell
    Harris, Michael
    O'Neil, Michael
    Sciotti, Richard
    Read, Lisa
    Lecoeur, Herve
    Hickman, Mark
    Grogl, Max
    ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 2017, 61 (04)
  • [26] Rapid screening of 70 colorants in dyeable foods by using ultra-high-performance liquid chromatography-hybrid quadrupole-Orbitrap mass spectrometry with customized accurate-mass database and mass spectral library
    Wu, Wenlin
    Liu, Shiyao
    Guo, Tianrong
    Han, Xiying
    Xia, Bing
    Wan, Yuping
    Han, Quanbin
    Zhou, Yan
    FOOD CHEMISTRY, 2021, 356
  • [27] Rapid automated screening, identification and quantification of organic micro-contaminants and their main transformation products in wastewater and river waters using liquid chromatography-quadrupole-time-of-flight mass spectrometry with an accurate-mass database
    Gomez, M. J.
    Gomez-Ramos, M. M.
    Malato, O.
    Mezcua, M.
    Fernandez-Alba, A. R.
    JOURNAL OF CHROMATOGRAPHY A, 2010, 1217 (45) : 7038 - 7054
123