Novel Scoring Methods for Interactions between Antibodies and Antigens

Lead Research Organisation: University of Southampton
Department Name: School of Chemistry

Abstract

We will combine the latest free energy calculation methods and enhanced sampling molecular dynamics simulations to predict antibody conformations when bound to the target protein epitope, and to subsequently rank the different loop sequences by affinity. At UCB, we have accumulated a large body of experimental data from historical computational antibody designs, for a proof-of-concept target protein. These data will be used to validate the scoring method developed during the project to test for discrimination of known binding and non-binding antibody designs. This feedback will be used to iteratively improve the scoring method

Publications

10 25 50

Studentship Projects

Project Reference Relationship Related To Start End Student Name
BB/P504713/1 11/09/2017 10/09/2021
1932904 Studentship BB/P504713/1 11/02/2017 10/09/2021 Mabel Wong
 
Description Aspects of antibody binding were better understood, and existing computational antibody design methods were altered with experimentally validated improvements.
Exploitation Route It is already being put to use in non-academic computational antibody design protocols. The outcomes could be further improved by more speculative work in academic research, which would be less feasible in a more risk-averse environment of pharmaceuticals.
Sectors Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology

 
Description ACS talk 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Industry/Business
Results and Impact Aroud 25 academics, industry employees and research students attended my talk at the American Chemical Society Fall 2021 Conference, where I presented my PhD work.
Year(s) Of Engagement Activity 2021
URL https://www.acs.org/content/acs/en/meetings/acs-meetings.html
 
Description Royal Society Summer Exhibition Lates 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact Assisted postdoc Ying-Chih Chiang in running a stand at The Royal Society's Summer Science Exhibition Lates (Discovery Hub). The Royal Society was open to the general public in the evening, and we ran a stand educating on antibiotic resistance and molecular dynamics through a board game, physics-based game and Virtual Reality Molecular Dynamics.
Year(s) Of Engagement Activity 2019
URL https://royalsociety.org/science-events-and-lectures/2019/07/lates-discovery-hub/
 
Description School Visit (Hampshire) 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Schools
Results and Impact 80 sixth-form pupils from different schools in the county attended a 'meet the scientist' event, where different scientists from different disciplines engaged in small group discussions with the students. The school reported an increased awareness of the area of research I represented.
Year(s) Of Engagement Activity 2019
 
Description YMF talk 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Other audiences
Results and Impact 50 academics, industry employees and research students attended the Young Modeller's Forum 2021 Conference, where I presented a talk on my PhD work.
Year(s) Of Engagement Activity 2021
URL https://www.mgms.org/WordPress/conferences/ymf-2020-21/