Events this person is speaking at:

Thursday 4 April 2019

• 14:00 - Assessment of a crystallographic fragment screen using unbiased molecular dynamics simulations
  Harold Grosjean (University of Oxford)
  SBCB Seminar Series

Thursday 28 January 2021

• 14:00 - Towards a PHIP inhibitor: crystallographic fragment screening and early computational elaboration.
  Harold Grosjean (University of Oxford)
  SBCB Seminar Series

Thursday 3 March 2022

• 14:00 - Onto recent advances in high-throughput fragment-based drug discovery at the XChem
  Harold Grosjean (University of Oxford)
  SBCB Seminar Series

Thursday 18 May 2023

• 14:00 - Integrative Approaches in Fragment-Based Drug Discovery
  Harold Grosjean (University of Oxford)
  SBCB Seminar Series

Events this person is hosting:

Thursday 7 October 2021

• 14:00 - Molecular dynamics of the mitochondrial Lon protease
  Lauren Alexandrescu (University of Oxford)
  SBCB Seminar Series

Thursday 21 October 2021

• 14:00 - Structural, functional and computational studies of SLC7 transporters
  Dimitrios Kolokouris (University of Oxford)
  SBCB Seminar Series

Thursday 11 November 2021

• 14:00 - An overview of simulations approaches to understand membrane proteins dynamics and drug action
  Prof Phil Biggin (University of Oxford)
  SBCB Seminar Series

Thursday 18 November 2021

• 14:00 - Insights into bacterial cell envelopes from molecular simulations
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 9 December 2021

• 14:00 - Theory of biomolecular discrimination
  Dr. John McBride (Institute for Basic Science)
  SBCB Seminar Series

Thursday 3 February 2022

• 14:00 - Recent innovations in methods for predicting protein-ligand binding
  David Mobley (University of California Irvine)
  SBCB Seminar Series

Thursday 10 February 2022

• 14:00 - Simulations of metallorganic cages: development of cationic dummy model of palladium
  Tomasz Piskorz (University of Oxford)
  SBCB Seminar Series

Thursday 3 March 2022

• 14:00 - Onto recent advances in high-throughput fragment-based drug discovery at the XChem
  Harold Grosjean (University of Oxford)
  SBCB Seminar Series

Thursday 31 March 2022

• 14:00 - Alchemical absolute binding free energy calculations at the protein-bilayer interface
  Charlie Cook (University of Oxford)
  SBCB Seminar Series

Thursday 5 May 2022

• 14:00 - 'Computational Studies on LSM12 as an NAADP-binding Protein and its Role in Activating the TPC2 Channel' / 'Mutational analysis of cholesterol binding in Large Neutral Amino Acid Transporter 1 (LAT1/SLC7A5)'
  Tianyi Shi, Daniel Standing
  SBCB Seminar Series

Thursday 12 May 2022

• 14:00 - ‘Computational approaches to allosteric ligand discovery for P2Y1 receptor’/ 'Molecular Dynamics simulations for Determining H2/O2 selection Mechanisms in and Oxygen Tolerant Hydrogenase'
  Jack Badley, Jessie Jiang
  SBCB Seminar Series

Thursday 19 May 2022

• 14:00 - Using computational tools to improve our understanding of voltage-sensing in sodium channe
  Bjarne Feddersen
  SBCB Seminar Series

Monday 23 May 2022

• 14:00 - Activation and inhibition of kinases that are central to leukaemias: lessons from computational chemistry (and some experiments too)
  Prof Ran Friedman (Linnaeus University, Kalmar, Sweden)
  SBCB Seminar Series

Thursday 23 June 2022

• 14:00 - Investigation and Application of a Versatile Model Membrane System by Combining Molecular Dynamic Simulations with Neutron Reflectometry Experiments
  Laura John (University of Oxford)
  SBCB Seminar Series

Thursday 30 June 2022

• 14:00 - A Simulation Study of the Salmonella O-antigen Acyltransferase Protein, OafB​
  Kahlan Newman (University of Southampton)
  SBCB Seminar Series

Thursday 7 July 2022

• 14:00 - Atomistic mechanisms of human TRPA1 activation by electrophile irritants
  David Seiferth
  SBCB Seminar Series

Events this person is organising:

Thursday 23 September 2021

• 14:00 - MDAnalysis 2.0 and beyond - towards fast and interoperable simulation analyses
  Dr Irfan Alibay (University of Oxford)
  SBCB Seminar Series

Thursday 7 October 2021

• 14:00 - Molecular dynamics of the mitochondrial Lon protease
  Lauren Alexandrescu (University of Oxford)
  SBCB Seminar Series

Thursday 21 October 2021

• 14:00 - Structural, functional and computational studies of SLC7 transporters
  Dimitrios Kolokouris (University of Oxford)
  SBCB Seminar Series

Thursday 28 October 2021

• 14:00 - Drug transport through peptide transporters
  Simon Lichtinger (University of Oxford)
  SBCB Seminar Series

Thursday 4 November 2021

• 14:00 - MacroConf – Dataset & Workflows to assess cyclic peptide solution structures
  Daniel Crusius (University of Oxford)
  SBCB Seminar Series

Thursday 11 November 2021

• 14:00 - An overview of simulations approaches to understand membrane proteins dynamics and drug action
  Prof Phil Biggin (University of Oxford)
  SBCB Seminar Series

Thursday 18 November 2021

• 14:00 - Insights into bacterial cell envelopes from molecular simulations
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 25 November 2021

• 14:00 - Computational investigation of the SARS-CoV-2 main protease
  Ho Chan (University of Oxford)
  SBCB Seminar Series

Thursday 2 December 2021

• 14:00 - Antimicrobial Peptides: Interactions with Modified Bacterial Membranes
  Status: This talk has been cancelled
  Patrick Simcock (University of Oxford)
  SBCB Seminar Series

Thursday 9 December 2021

• 14:00 - Theory of biomolecular discrimination
  Dr. John McBride (Institute for Basic Science)
  SBCB Seminar Series

Thursday 13 January 2022

• 14:00 - Correction schemes for absolute binding free energies involving lipid bilayers
  Will Wu
  SBCB Seminar Series

Thursday 20 January 2022

• 14:00 - Structural determinants of nicotinic acetylcholine receptor modulation
  Franco Viscarra

Thursday 27 January 2022

• 14:00 - Parametrization and applications of coarse-grained molecular dynamics simulations
  Sophie Mader
  SBCB Seminar Series
• 14:00 - Parametrization and applications of coarse-grained molecular dynamics simulations
  Sophie Mader

Thursday 3 February 2022

• 14:00 - Recent innovations in methods for predicting protein-ligand binding
  David Mobley (University of California Irvine)
  SBCB Seminar Series

Thursday 17 February 2022

• 14:00 - Studying TRIM PHD-bromodomain interactions with histone H3 peptides using MD simulations
  TBA
  SBCB Seminar Series

Thursday 3 March 2022

• 14:00 - Onto recent advances in high-throughput fragment-based drug discovery at the XChem
  Harold Grosjean (University of Oxford)
  SBCB Seminar Series

Thursday 10 March 2022

• 14:00 - Title TBC
  Zonghua Bo (University of Oxford)
  SBCB Seminar Series

Thursday 17 March 2022

• 14:00 - "Patched1, cholesterol and ions - what is going on?"
  Bertie Ansell (University of Oxford)
  SBCB Seminar Series

Thursday 31 March 2022

• 14:00 - Alchemical absolute binding free energy calculations at the protein-bilayer interface
  Charlie Cook (University of Oxford)
  SBCB Seminar Series

Thursday 5 May 2022

• 14:00 - 'Computational Studies on LSM12 as an NAADP-binding Protein and its Role in Activating the TPC2 Channel' / 'Mutational analysis of cholesterol binding in Large Neutral Amino Acid Transporter 1 (LAT1/SLC7A5)'
  Tianyi Shi, Daniel Standing
  SBCB Seminar Series

Thursday 12 May 2022

• 14:00 - ‘Computational approaches to allosteric ligand discovery for P2Y1 receptor’/ 'Molecular Dynamics simulations for Determining H2/O2 selection Mechanisms in and Oxygen Tolerant Hydrogenase'
  Jack Badley, Jessie Jiang
  SBCB Seminar Series

Thursday 19 May 2022

• 14:00 - Using computational tools to improve our understanding of voltage-sensing in sodium channe
  Bjarne Feddersen
  SBCB Seminar Series

Monday 23 May 2022

• 14:00 - Activation and inhibition of kinases that are central to leukaemias: lessons from computational chemistry (and some experiments too)
  Prof Ran Friedman (Linnaeus University, Kalmar, Sweden)
  SBCB Seminar Series

Thursday 16 June 2022

• 14:00 - Antimicrobial Peptides and the Multiple Peptide Resistance Factor: Molecular Dynamics Simulations to understand Antimicrobial resistance
  Patrick Simcock (University of Oxford)
  SBCB Seminar Series

Thursday 23 June 2022

• 14:00 - Investigation and Application of a Versatile Model Membrane System by Combining Molecular Dynamic Simulations with Neutron Reflectometry Experiments
  Laura John (University of Oxford)
  SBCB Seminar Series

Thursday 30 June 2022

• 14:00 - A Simulation Study of the Salmonella O-antigen Acyltransferase Protein, OafB​
  Kahlan Newman (University of Southampton)
  SBCB Seminar Series

Thursday 7 July 2022

• 14:00 - Atomistic mechanisms of human TRPA1 activation by electrophile irritants
  David Seiferth
  SBCB Seminar Series

Thursday 14 July 2022

• 14:00 - Predicting Antimicrobial Resistance in Mycobacterium Tuberculosis using Machine Learning with Protein Structural and Chemical Features
  Dr Charlotte Lynch (University of Oxford)
  SBCB Seminar Series