Computational Biophysics and Drug Design Meeting

Abstract submissions are now closed!

Programme
[ 22 August 2024 @ 10:45 am ]

Tea/Coffee/Pastries: 10:45 to 11:00

Welcome Note:

By Dr Shubham Vishnoi

Postdoctoral Researcher, University of Limerick, Ireland and Biophysical Society Member

Session 1: 11:00 to 12:00
15 min Talk + 5 min Questions

    11:00pm: Dr Sousa Javannikkhah

                    Marie Sklodowska-Curie Fellow, University of Limerick, Ireland

                    "Advanced Computational Design of Polymer-Based Systems for Orally Administrable Antibody Delivery"

    11:20pm: Dr Scott Midgley

                    Computational Chemistry Developer, Cresset, Cambridge, United Kingdom

                    "Development of non-opioid analgesics via cannabinoid CB2 modulation"

    11:40pm: Dr Virag Sharma

                    Areas of expertise: Bioinformatics, Genomics, Immunoinformatics

                    "Genome annotation: comparative and de novo approaches"

Session 2: 12:00 to 01:00
8 min Talk + 2 min Questions

    12:00pm: Freddy Ramon (Yale University, New Haven, USA)
                    "Modelling the actuation behavior of photosalient crystals using Density Functional Theory calculations"

    12:10pm: Anthony M. Smaldone (Yale University, New Haven, USA)
                    "Accelerating Drug Design with Quantum Computation: A Case Study in Toxicity Prediction"

    12:20pm: Jack O'Callaghan (University of Limerick, Ireland)
                    "Intrinsically disordered proteins for antimicrobial drug discovery"

    12:30pm: Gregory Kyro (Yale University, New Haven, USA)
                    "CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability"

    12:40pm: Niamh Hickey (University of Limerick, Ireland)
                    "Enhancing advanced pharmaceutical formulation via molecular modelling"

    12:50pm: Geetu Kumari, Robert Guest (University of Limerick, Ireland)
                    "High-throughput DFT and machine learning predictions of piezoelectric responses"

Tea/Coffee/Pizza and In-person Networking Session: 01:00 to 02:00

Session 3: 02:00 to 03:30

Research Talk
20 min Talk + 5 min Questions

    02:00pm: Dr Sofia Oliveira

                    BBSRC Research Fellow, University of Bristol, UK
                    "Exploring dynamical-nonequilibrium MD simulations to understand drug resistance and allostery in proteins"

Mastering Grant Proposals: Strategies for Success
15 min Talk + 5 min Questions

    02:25pm: Dr Sarah Guerin

                    Associate Professor in Sustainable Energy Harvesting, University of Limerick, Ireland

    02:45pm: Dr Ibrahim Saana Amiinu

                    Senior Research Fellow, University of Limerick, Ireland

Research Talk
20 min Talk + 5 min Questions

    03:10pm: Dr Sarah Harris

                    Associate Professor of Biological Physics, University of Leeds, UK
                    "Multi-resolution simulations of the SARS-CoV-2 mRTC complex"

Thank You Note:

By Dr Sarah Guerin

Associate Professor in Sustainable Energy Harvesting, University of Limerick, Ireland

Venue: MSG-024/025, Bernal Institute, University of Limerick, Ireland

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