Smart, automated, generation of molecular libraries for high-throughput virtual screening

被引:0
|
作者
Pyzer-Knapp, Edward [1 ]
Hernandez-Lobato, Jose [2 ]
Adams, Ryan [2 ]
Aspuru-Guzik, Alan [1 ]
机构
[1] Harvard Univ, Chem & Chem Biol, Cambridge, MA 02138 USA
[2] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
31
引用
收藏
页数:2
相关论文
共 50 条
  • [21] Efficient Management of High-Throughput Screening Libraries with SAVANAH
    List, Markus
    Elnegaard, Marlene Pedersen
    Schmidt, Steffen
    Christiansen, Helle
    Tan, Qihua
    Mollenhauer, Jan
    Baumbach, Jan
    SLAS DISCOVERY, 2017, 22 (02) : 196 - 202
  • [22] Molecular docking-based computational platform for high-throughput virtual screening
    Zhang, Baohua
    Li, Hui
    Yu, Kunqian
    Jin, Zhong
    CCF TRANSACTIONS ON HIGH PERFORMANCE COMPUTING, 2022, 4 (01) : 63 - 74
  • [23] Molecular docking-based computational platform for high-throughput virtual screening
    Baohua Zhang
    Hui Li
    Kunqian Yu
    Zhong Jin
    CCF Transactions on High Performance Computing, 2022, 4 : 63 - 74
  • [24] Accessible High-Throughput Virtual Screening Molecular Docking Software for Students and Educators
    Jacob, Reed B.
    Andersen, Tim
    McDougal, Owen M.
    PLOS COMPUTATIONAL BIOLOGY, 2012, 8 (05)
  • [25] High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields
    Sciabola, Simone
    Stanton, Robert V.
    Mills, James E.
    Flocco, Maria M.
    Baroni, Massimo
    Cruciani, Gabriele
    Perruccio, Francesca
    Mason, Jonathan S.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2010, 50 (01) : 155 - 169
  • [26] High-throughput virtual molecular docking with AutoDockCloud
    Ellingson, Sally R.
    Baudry, Jerome
    CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE, 2014, 26 (04): : 907 - 916
  • [27] High-throughput RNA interference screening using pooled shRNA libraries and next generation sequencing
    Sims, David
    Mendes-Pereira, Ana M.
    Frankum, Jessica
    Burgess, Darren
    Cerone, Maria-Antonietta
    Lombardelli, Cristina
    Mitsopoulos, Costas
    Hakas, Jarle
    Murugaesu, Nirupa
    Isacke, Clare M.
    Fenwick, Kerry
    Assiotis, Ioannis
    Kozarewa, Iwanka
    Zvelebil, Marketa
    Ashworth, Alan
    Lord, Christopher J.
    GENOME BIOLOGY, 2011, 12 (10):
  • [28] High-throughput RNA interference screening using pooled shRNA libraries and next generation sequencing
    David Sims
    Ana M Mendes-Pereira
    Jessica Frankum
    Darren Burgess
    Maria-Antonietta Cerone
    Cristina Lombardelli
    Costas Mitsopoulos
    Jarle Hakas
    Nirupa Murugaesu
    Clare M Isacke
    Kerry Fenwick
    Ioannis Assiotis
    Iwanka Kozarewa
    Marketa Zvelebil
    Alan Ashworth
    Christopher J Lord
    Genome Biology, 12
  • [29] High-throughput and automated screening for COVID-19
    Jonguitud-Borrego, Nestor
    Malci, Koray
    Anand, Mihir
    Baluku, Erikan
    Webb, Calum
    Liang, Lungang
    Barba-Ostria, Carlos
    Guaman, Linda P.
    Hui, Liu
    Rios-Solis, Leonardo
    FRONTIERS IN MEDICAL TECHNOLOGY, 2022, 4
  • [30] High-throughput automated refolding screening of inclusion bodies
    Vincentelli, R
    Canaan, S
    Campanacci, V
    Valencia, C
    Maurin, D
    Frassinetti, F
    Scappucini-Calvo, L
    Bourne, Y
    Cambillau, C
    Bignon, C
    PROTEIN SCIENCE, 2004, 13 (10) : 2782 - 2792