Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening

被引:0
|
作者
Melissa F. Adasme
Sarah Naomi Bolz
Ali Al-Fatlawi
Michael Schroeder
机构
[1] Biotechnology Center (BIOTEC),
[2] CMCB,undefined
[3] Technische Universitat Dresden,undefined
来源
关键词
Fragments; Binding mode; Structural data; Non-covalent interactions; Interactions fingerprint;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [41] Structure-based drug design
    Amzel, LM
    CURRENT OPINION IN BIOTECHNOLOGY, 1998, 9 (04) : 366 - 369
  • [42] Structure-based drug design
    Murcko, MA
    Caron, PR
    Charifson, PS
    ANNUAL REPORTS IN MEDICINAL CHEMISTRY, VOL 34, 1999, 34 : 297 - 306
  • [43] STRUCTURE-BASED DRUG DESIGN
    COLMAN, PM
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 1994, 4 (06) : 868 - 874
  • [44] Molecular Structure-Based Double-Central Drug-Drug Interaction Prediction
    Cheng Baitai
    Peng, Jing
    Zhang, Yi
    Liu, Yang
    ARTIFICIAL NEURAL NETWORKS AND MACHINE LEARNING, ICANN 2023, PT IV, 2023, 14257 : 127 - 138
  • [45] Combining ligand-based and structure-based drug design in the virtual screening arena
    Moro, Stefano
    Bacilieri, Magdalena
    Deflorian, Francesca
    EXPERT OPINION ON DRUG DISCOVERY, 2007, 2 (01) : 37 - 49
  • [46] Structure-Based Virtual Screening of Antiviral Compounds Targeting the Norovirus RdRp Protein
    Alqahtani, Leena S.
    Alkathiri, Ahmad Salah
    Alzahrani, Abdulrahman
    Alghamdi, Rashed Mohammed
    Alamri, Waad Abdulrahmman
    Kamal, Mohammad Azhar
    Aloufi, Ahmed Hamdan
    Alamri, Ali Saeed
    Alam, Qamre
    ADVANCEMENTS IN LIFE SCIENCES, 2024, 11 (02): : 488 - 492
  • [47] Analysis of structure-based virtual screening studies and characterization of identified active compounds
    Ripphausen, Peter
    Stumpfe, Dagmar
    Bajorath, Juergen
    FUTURE MEDICINAL CHEMISTRY, 2012, 4 (05) : 603 - 613
  • [48] Beyond the Virtual Screening Paradigm: Structure-Based Searching for New Lead Compounds
    Schlosser, Jochen
    Rarey, Matthias
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2009, 49 (04) : 800 - 809
  • [49] Structure-Based Bayesian Sparse Reconstruction
    Quadeer, Ahmed A.
    Al-Naffouri, Tareq Y.
    IEEE TRANSACTIONS ON SIGNAL PROCESSING, 2012, 60 (12) : 6354 - 6367
  • [50] Identification of Organic Anion Transporter 2 Inhibitors: Screening, Structure-Based Analysis, and Clinical Drug Interaction Risk Assessment
    Ryu, Sangwoo
    Woody, Nathaniel
    Chang, George
    Mathialagan, Sumathy
    Varma, Manthena V. S.
    JOURNAL OF MEDICINAL CHEMISTRY, 2022, 65 (21) : 14578 - 14588