Literature DB >> 24668560

Second antibody modeling assessment (AMA-II).

Juan C Almagro1, Alexey Teplyakov, Jinquan Luo, Raymond W Sweet, Sreekumar Kodangattil, Francisco Hernandez-Guzman, Gary L Gilliland.   

Abstract

To assess the state of the art in antibody 3D modeling, 11 unpublished high-resolution x-ray Fab crystal structures from diverse species and covering a wide range of antigen-binding site conformations were used as a benchmark to compare Fv models generated by seven structure prediction methodologies. The participants included: Accerlys Inc, Chemical Computer Group (CCG), Schrodinger, Jeff Gray's lab at John Hopkins University, Macromoltek, Astellas Pharma/Osaka University and Prediction of ImmunoGlobulin Structure (PIGS). The sequences of benchmark structures were submitted to the modelers and PIGS, and a set of models were generated for each structure. We provide here an overview of the organization, participants and main results of this second antibody modeling assessment (AMA-II). Also, we compare the results with the first antibody assessment published in this journal (Almagro et al., 2011;79:3050).
© 2014 Wiley Periodicals, Inc.

Entities:  

Keywords:  antigen-binding site; canonical structures; homology modeling; immunoglobulin; x-ray structure

Mesh:

Substances:

Year:  2014        PMID: 24668560     DOI: 10.1002/prot.24567

Source DB:  PubMed          Journal:  Proteins        ISSN: 0887-3585


  54 in total

1.  Augmented Binary Substitution: Single-pass CDR germ-lining and stabilization of therapeutic antibodies.

Authors:  Sue Townsend; Brian J Fennell; James R Apgar; Matthew Lambert; Barry McDonnell; Joanne Grant; Jason Wade; Edward Franklin; Niall Foy; Deirdre Ní Shúilleabháin; Conor Fields; Alfredo Darmanin-Sheehan; Amy King; Janet E Paulsen; Timothy P Hickling; Lioudmila Tchistiakova; Orla Cunningham; William J J Finlay
Journal:  Proc Natl Acad Sci U S A       Date:  2015-11-30       Impact factor: 11.205

2.  Antibody modeling using the prediction of immunoglobulin structure (PIGS) web server [corrected].

Authors:  Paolo Marcatili; Pier Paolo Olimpieri; Anna Chailyan; Anna Tramontano
Journal:  Nat Protoc       Date:  2014-11-06       Impact factor: 13.491

3.  MoFvAb: Modeling the Fv region of antibodies.

Authors:  Alexander Bujotzek; Angelika Fuchs; Changtao Qu; Jörg Benz; Stefan Klostermann; Iris Antes; Guy Georges
Journal:  MAbs       Date:  2015       Impact factor: 5.857

4.  De novo discovery of antibody drugs - great promise demands scrutiny.

Authors:  William J J Finlay; Alexey A Lugovskoy
Journal:  MAbs       Date:  2019-06-06       Impact factor: 5.857

5.  A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv).

Authors:  Chao Tu; Virginie Terraube; Amy Sze Pui Tam; Wayne Stochaj; Brian J Fennell; Laura Lin; Mark Stahl; Edward R LaVallie; Will Somers; William J J Finlay; Lydia Mosyak; Joel Bard; Orla Cunningham
Journal:  J Biol Chem       Date:  2015-10-29       Impact factor: 5.157

6.  Improved prediction of antibody VL-VH orientation.

Authors:  Nicholas A Marze; Sergey Lyskov; Jeffrey J Gray
Journal:  Protein Eng Des Sel       Date:  2016-06-08       Impact factor: 1.650

7.  Accurate Structure Prediction of CDR H3 Loops Enabled by a Novel Structure-Based C-Terminal Constraint.

Authors:  Brian D Weitzner; Jeffrey J Gray
Journal:  J Immunol       Date:  2016-11-21       Impact factor: 5.422

8.  Antibody structure determination using a combination of homology modeling, energy-based refinement, and loop prediction.

Authors:  Kai Zhu; Tyler Day; Dora Warshaviak; Colleen Murrett; Richard Friesner; David Pearlman
Journal:  Proteins       Date:  2014-04-16

9.  mmCSM-AB: guiding rational antibody engineering through multiple point mutations.

Authors:  Yoochan Myung; Douglas E V Pires; David B Ascher
Journal:  Nucleic Acids Res       Date:  2020-07-02       Impact factor: 16.971

10.  Modeling and docking of antibody structures with Rosetta.

Authors:  Brian D Weitzner; Jeliazko R Jeliazkov; Sergey Lyskov; Nicholas Marze; Daisuke Kuroda; Rahel Frick; Jared Adolf-Bryfogle; Naireeta Biswas; Roland L Dunbrack; Jeffrey J Gray
Journal:  Nat Protoc       Date:  2017-01-26       Impact factor: 13.491

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