Solvent accessibility free energy predictor calculations of binding affinity for non peptidic HIV-1 protease inhibitors

被引:0
|
作者
Sussman, FS [1 ]
Villaverde, MC [1 ]
Martinez, LA [1 ]
Estevez, RJ [1 ]
机构
[1] Univ Santiago Compostela, La Coruna 15706, Spain
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
1335
引用
收藏
页码:320A / 320A
页数:1
相关论文
共 50 条
  • [31] Relative free energy of binding and binding mode calculations of HIV-1 RT inhibitors based on dock-MM-PB/GS
    Zhou, ZG
    Madura, JD
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2004, 57 (03) : 493 - 503
  • [32] Fluorogenic Assay for Inhibitors of HIV-1 Protease with Sub-picomolar Affinity
    Windsor, Ian W.
    Raines, Ronald T.
    SCIENTIFIC REPORTS, 2015, 5
  • [33] Fluorogenic Assay for Inhibitors of HIV-1 Protease with Sub-picomolar Affinity
    Ian W. Windsor
    Ronald T. Raines
    Scientific Reports, 5
  • [34] Empirical free energy as a target function in docking and design: Application to HIV-1 protease inhibitors
    King, BL
    Vajda, S
    DeLisi, C
    FEBS LETTERS, 1996, 384 (01): : 87 - 91
  • [35] Determination of the absolute binding free energies of HIV-1 protease inhibitors using non-equilibrium molecular dynamics simulations
    Son Tung Ngo
    Minh Tung Nguyen
    Minh Tho Nguyen
    CHEMICAL PHYSICS LETTERS, 2017, 676 : 12 - 17
  • [36] Molecular dynamics simulation and free energy calculations of symmetric fluoro-substituted diol-based HIV-1 protease inhibitors
    Chen, Jian-Zhong
    Yang, Mao-You
    Yi, Chang-Hong
    Shi, Shu-Hua
    Zhang, Qing-Gang
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 899 (1-3): : 1 - 8
  • [37] Pocket-to-Lead: Structure-BasedDe NovoDesign of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocketas a Template
    Kojima, Eiichi
    Iimuro, Atsuhiro
    Nakajima, Mado
    Kinuta, Hirotaka
    Asada, Naoya
    Sako, Yusuke
    Nakata, Zenzaburo
    Uemura, Kentaro
    Arita, Shuhei
    Miki, Shinobu
    Wakasa-Morimoto, Chiaki
    Tachibana, Yuki
    JOURNAL OF MEDICINAL CHEMISTRY, 2022, 65 (08) : 6157 - 6170
  • [38] Modification and biological evaluation of novel 4-hydroxy-pyrone derivatives as non-peptidic HIV-1 protease inhibitors
    Meizi He
    Ning Yang
    Chunlai Sun
    Xiaojian Yao
    Ming Yang
    Medicinal Chemistry Research, 2011, 20 : 200 - 209
  • [39] Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease
    Trylska, J
    Antosiewicz, J
    Geller, M
    Hodge, CN
    Klabe, RM
    Head, MS
    Gilson, MK
    PROTEIN SCIENCE, 1999, 8 (01) : 180 - 195
  • [40] Modification and biological evaluation of novel 4-hydroxy-pyrone derivatives as non-peptidic HIV-1 protease inhibitors
    He, Meizi
    Yang, Ning
    Sun, Chunlai
    Yao, Xiaojian
    Yang, Ming
    MEDICINAL CHEMISTRY RESEARCH, 2011, 20 (02) : 200 - 209