Lucy Vost

DPhil in Computational Discovery student

About Me

Hello! I'm Lucy, a 2nd year DPhil student on the Computational Discovery CDT and working in OPIG. I'm currently working on fragment-based drug discovery. This consists of developing drugs for a given target protein beginning from fragments that are known to weakly bind to it. When elaborating on a fragment in such campaigns, information about known ligands and the protein pocket can both be leveraged to maximise the binding affinity of the end result. However, using information about known ligands has been demonstrated to bias the drug design process. In collaboration with IBM Research, I am investigating methods to extract information directly from protein pockets in a way that can be used in elaboration campaigns. Before this, I attended Durham University, where I did an integrated Masters degree in Physics.

Research Interests

Machine learning for drug design

Contact Details

Office: 2.19

Pronouns: She/Her

Lewis Chinery

SABS CDT student

About Me

Hi, I'm Lewis! My background is in Physics, but I have now pivoted from quarks to antibodies as a PhD student within the Oxford Protein Informatics Group (OPIG). I started my PhD in 2020 through the SABS CDT program and I am funded by BBSRC.

Research Interests

My research focuses on applying structure-based Deep Learning methods to predict antibody-antigen binding interfaces. The goal of such work is to reduce our reliance on traditional experimental techniques, thereby speeding up and reducing the cost of therapeutic antibody development.

Contact Details

Email: lewis.chinery@stats.ox.ac.uk

Office: 2.17

Research Groups

  • Oxford Protein Informatics Group
  • Computational Biology and Bioinformatics

Supervisor(s)

Hrushikesh Loya

DTC in Genomic Medicine and Statistics student

About Me

I am a 3rd year DPhil student at the Wellcome Centre for Human Genetics and Department of Statistics, Oxford. My primary research interest is in Bayesian method development for application in human genetics. Before Oxford, I completed my bachelor's and masters in electrical engineering from IIT Bombay, India.

Research Interests

  • Bayesian machine learning techniques for genome-wide association studies (GWAS).
  • Genome-wide genealogies to analyze past human history, particularly "ghost" populations
  • Uncertainty-aware and truth-worthy machine learning.

Leo Klarner

SABS CDT student

About Me

I am a second year DPhil student at the SABS:R3 CDT, improving the robustness and generalisation of deep learning algorithms in early-stage drug discovery. Before that, I earned a joint degree in chemistry, biology and computer science from ETH Zurich, where I picked up a fondness for all things outdoors.

Research Interests

  • small molecule drug discovery
  • machine learning

Contact Details

Email: leo.klarner@stats.ox.ac.uk

Office: 2.14

Pronouns: He/Him

Stephanie Wills

SABS CDT student

About Me

Hello! I am a 2nd year DPhil student (through the SABS CDT programme) working in the Oxford Protein Informatics Group (OPIG).

Research Interests

I am interested in computational approaches to small-molecule drug discovery, specifically the optimization of fragments into more potent lead-like compounds using crystallographic data.

Contact Details

Email: stephanie.wills@stats.ox.ac.uk

Office: 2.20

Pronouns : She/Her

Dr George Nicholson

Postdoctoral Researcher

About Me

I studied mathematics as an undergraduate, before focusing my doctoral research on population genetics – where we use probabilistic models to help us understand how population movements and selective pressures gave rise to modern-day human genetic variation.

Since then, I’ve developed a general passion for the process of discovery in biomedical science. How can we best design scientific experiments and update our beliefs, based on the resulting data, to help improve public health? Our essential common goal is to investigate and refine scientific hypotheses about the mechanisms of disease, through careful experimentation and observation, followed up by robust, reproducible analyses.

Research Interests

We as statisticians contribute to science by developing statistical models that probabilistically relate data to underlying mechanisms of interest. Methodological tools such as Bayesian networks and Markov chain Monte Carlo allow us to work with arbitrarily complex statistical models. We strive to design and fit models that satisfactorily represent the mechanisms through which data arise.

Modern scientific datasets are often large, highly structured, and multifaceted. They span multiple high-dimensional data types (such as genetic, molecular, clinical, image or audio data), are gathered sequentially and/or spread spatially, can be affected by selection bias and harbour missing data. Such large, multimodal, complex datasets present challenges as well as opportunities. While we are theoretically capable of modelling all data types and generating mechanisms in an all-encompassing model, high computational complexity may mean it is infeasible in practice to fit our model in reasonable time. I’m interested in statistical methods that help us perform inference in this setting, in ways that are computationally efficient yet still probabilistically coherent. Here are some example themes and applications of current focus:

Multivariate methods. Effective modelling of multivariate relationships in high dimensional data can often provide transformative insights. We are developing composable multivariate models, based on sparse factor representations, to extract information from high dimensional phenotypic measurements with missing data. 

Longitudinal data analysis. We are developing methods for multivariate longitudinal analysis of clinical trials data, whereby we can harness information both across clinical endpoints and across time points of an individual patient. We are also interested in inferring longitudinal trajectories from infrequently measured phenotypes in UK biobank data. We recently implemented a susceptible-infectious-recovered (SIR) to model changes in local Covid prevalence over time.

Composable inference. We’re interested in developing composable statistical methods that allow us to extract information from diverse datasets separately and conveniently, and then to synthesise information coherently and pragmatically (e.g., Markov melding). We have employed composable statistical inference in application areas ranging from UK biobank, randomised clinical trials, multivariate phenotyping, and Covid testing data.

Inference under model misspecification. When combining information from multiple data sources, we may want to control the influence of less reliable or poorly modelled sources (e.g., generalised Bayesian inference). I’m interested in computationally efficient ways of doing this. We used this form of inference to obtain unbiased local Covid prevalence estimates: we combined highly accurate randomised testing surveys (REACT) with precise but inaccurate symptoms-ascertained data (Test-and-trace).

Publications

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