De novo protein surface design: Application of a "molecular hinge" to a model protein surface for the recognition of a small molecule with high affinity in 50% water.

被引:0
|
作者
Orner, BP
Hamilton, AD
Salvatella, X
Giralt, E
Sanchez-Quesada, J
de Mendoza, J
机构
[1] Yale Univ, Dept Chem, New Haven, CT 06520 USA
[2] Univ Barcelona, Dept Quim Organ, E-08007 Barcelona, Spain
[3] Univ Autonoma Madrid, Dept Quim Organ, E-28049 Madrid, Spain
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
76-ORGN
引用
收藏
页码:U108 / U108
页数:1
相关论文
共 23 条
  • [1] De novo design of protein interactions with learned surface fingerprints
    Gainza, Pablo
    Wehrle, Sarah
    Van Hall-Beauvais, Alexandra
    Marchand, Anthony
    Scheck, Andreas
    Harteveld, Zander
    Buckley, Stephen
    Ni, Dongchun
    Tan, Shuguang
    Sverrisson, Freyr
    Goverde, Casper
    Turelli, Priscilla
    Raclot, Charlene
    Teslenko, Alexandra
    Pacesa, Martin
    Rosset, Stephane
    Georgeon, Sandrine
    Marsden, Jane
    Petruzzella, Aaron
    Liu, Kefang
    Xu, Zepeng
    Chai, Yan
    Han, Pu
    Gao, George F.
    Oricchio, Elisa
    Fierz, Beat
    Trono, Didier
    Stahlberg, Henning
    Bronstein, Michael
    Correia, Bruno E.
    [J]. NATURE, 2023, 617 (7959) : 176 - +
  • [2] De novo design of protein interactions with learned surface fingerprints
    Pablo Gainza
    Sarah Wehrle
    Alexandra Van Hall-Beauvais
    Anthony Marchand
    Andreas Scheck
    Zander Harteveld
    Stephen Buckley
    Dongchun Ni
    Shuguang Tan
    Freyr Sverrisson
    Casper Goverde
    Priscilla Turelli
    Charlène Raclot
    Alexandra Teslenko
    Martin Pacesa
    Stéphane Rosset
    Sandrine Georgeon
    Jane Marsden
    Aaron Petruzzella
    Kefang Liu
    Zepeng Xu
    Yan Chai
    Pu Han
    George F. Gao
    Elisa Oricchio
    Beat Fierz
    Didier Trono
    Henning Stahlberg
    Michael Bronstein
    Bruno E. Correia
    [J]. Nature, 2023, 617 : 176 - 184
  • [3] De novo protein surface design:: Use of cation-π interactions to enhance binding between an α-helical peptide and a cationic molecule in 50% aqueous solution
    Orner, BP
    Salvatella, X
    Quesada, JS
    de Mendoza, J
    Giralt, E
    Hamilton, AD
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2002, 41 (01) : 117 - 119
  • [4] CRD: A de novo design algorithm for the prediction of cognate protein receptors for small molecule ligands
    Sankar, Santhosh
    Vasudevan, Sneha
    Chandra, Nagasuma
    [J]. STRUCTURE, 2024, 32 (03)
  • [5] De Novo Design of Site-specific Protein Binders Using Surface Fingerprints
    Wehrle, Sarah
    Van Hall-Beauvais, Alexandra
    Gainza, Pablo
    Harteveld, Zander
    Scheck, Andreas
    Sverrisson, Freyr
    Shuguang, Tan
    Petruzzella, Aaron
    Rosset, Stephane
    Georgeon, Sandrine
    Oricchio, Elisa
    [J]. PROTEIN SCIENCE, 2021, 30 : 162 - 163
  • [6] De Novo Molecule Design Using Molecular Generative Models Constrained by Ligand-Protein Interactions
    Zhang, Jie
    Chen, Hongming
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 62 (14) : 3291 - 3306
  • [7] De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites
    Xu, Mingyuan
    Ran, Ting
    Chen, Hongming
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 61 (07) : 3240 - 3254
  • [8] Machine Learning in Protein Science De Novo Design of Site-Specific Protein Binders Using Surface Fingerprints
    Van Hall-Beauvais, Alexandra
    Gainza, Pablo
    Wehrle, Sarah
    Scheck, Andreas
    Marchand, Anthony
    Harteveld, Zander
    Goverde, Casper
    Ni, Dongchun
    Shuguang, Tan
    Turelli, Priscilla
    Trono, Didier
    Stahlberg, Henning
    Gao, Geroge
    Bronstein, Michael
    Correia, Bruno
    [J]. PROTEIN SCIENCE, 2023, 32
  • [9] De novo prediction of explicit water molecule positions by a novel algorithm within the protein design software MUMBO
    Mark Kriegel
    Yves A. Muller
    [J]. Scientific Reports, 13 (1)
  • [10] De novo prediction of explicit water molecule positions by a novel algorithm within the protein design software MUMBO
    Kriegel, Mark
    Muller, Yves A.
    [J]. SCIENTIFIC REPORTS, 2023, 13 (01):