Events this person is speaking at:

Thursday 29 June 2023

• 14:00 - Analog Computing for Molecular Dynamics Simulations
  William Rochira (University of Oxford)
  SBCB Seminar Series

Events this person is hosting:

Thursday 6 October 2022

• 14:00 - Simulations to understand membrane protein dynamics and drug actions
  Prof Phil Biggin (University of Oxford)
  SBCB Seminar Series

Thursday 13 October 2022

• 14:15 - Khalid group: Microbiology with computers
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 27 October 2022

• 14:00 - Effects of induced polarisation on nanoscale behaviour of anions in anion carriers
  David Seiferth
  SBCB Seminar Series

Thursday 3 November 2022

• 13:00 - Making Martini 3 sweeter: extension to simulate oligosaccharides in a generalised fashion
  Astrid Brandner (University of Oxford)
  SBCB Seminar Series

Thursday 10 November 2022

• 14:00 - Elucidating the interaction patterns between antimicrobial peptides and the cell envelopes of Gram-negative bacteria using molecular dynamics simulations
  Cyril Schroeder (University of Oxford)
  SBCB Seminar Series

Thursday 17 November 2022

• 14:00 - Bacterial chemotaxis and methane metabolism: structure-function analysis of the underlying supramolecular assemblies
  Keith Cassidy (University of Oxford)
  SBCB Seminar Series

Thursday 24 November 2022

• 15:00 - Machine learning vs protein conformational spaces
  Matteo Degiacomi (Durham University)
  SBCB Seminar Series

Thursday 1 December 2022

• 14:00 - Manipulate molecules in Virtual Reality with Narupa
  Jonathan Barnoud (University of Bristol)
  SBCB Seminar Series

Thursday 12 January 2023

• 15:00 - Structural basis of peptidoglycan synthesis by E. coli RodA-PBP2 complex: Insights from molecular dynamics
  Jon Colburn (University of Oxford)
  SBCB Seminar Series

Thursday 19 January 2023

• 14:00 - Aberrant TRPC3 signalling in Spinocerebellar Ataxias
  Jodie Collingridge (University of Oxford)
  SBCB Seminar Series

Thursday 26 January 2023

• 14:00 - FEP calculations on GPCRs
  Eduard Neu (Friedrich-Alexander-Universität Erlangen-Nürnberg)
  SBCB Seminar Series

Thursday 2 February 2023

• 14:00 - Title TBC
  Status: This talk has been cancelled
  Emad Tajkhorshid (University of Illinois at Urbana-Champaign)
  SBCB Seminar Series

Thursday 9 February 2023

• 15:00 - BPS Review Session
  BPS Presenters (University of Oxford)
  SBCB Seminar Series

Thursday 2 March 2023

• 14:00 - Open Force Field: next generation force fields with open software, open data, and open science
  Lily Wang (Open Force Field Initiative)
  SBCB Seminar Series

Thursday 9 March 2023

• 14:00 - The mechanism of mammalian peptide transporters
  Simon Lichtinger (University of Oxford)
  SBCB Seminar Series

Thursday 16 March 2023

• 14:00 - The Fast and the Accurate? Cheminformatics and Molecular Dynamics for Cyclic Peptide Structure Prediction
  Daniel Crusius (University of Oxford)
  SBCB Seminar Series

Thursday 23 March 2023

• 14:00 - Applied Computer Science in Computational Virology
  Tyler Reddy (Los Alamos National Laboratory)
  SBCB Seminar Series

Thursday 30 March 2023

• 14:00 - Developing and sharing biomolecular simulation methods for modelling protein-ligand interactions
  Julien Michel (University of Edinburgh)
  SBCB Seminar Series

Thursday 27 April 2023

• 14:00 - Mixed - see abstract
  Jonathon Puleston (University of Oxford), Lilia Evgeniou (University of Oxford)
  SBCB Seminar Series

Thursday 4 May 2023

• 14:00 - Mixed - see abstract
  Bailey Cameron (University of Oxford), Fergus Waterhouse (University of Oxford)
  SBCB Seminar Series

Thursday 11 May 2023

• 14:00 - Structure-based discovery of opioid and nonopioid analgesics
  Prof. Dr. Peter Gmeiner (University of Erlangen-Nuremberg)
  SBCB Seminar Series

Thursday 18 May 2023

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

Thursday 1 June 2023

• 14:00 - Multiscale modelling of transmembrane transport processes with kinetic cycle models
  Oliver Beckstein (Arizona State University)
  SBCB Seminar Series

Thursday 8 June 2023

• 14:00 - Absolute binding free energy calculations for membrane targets in the TRPC3/6 subfamily of proteins
  Nithishwer Mouroug Anand (University of Oxford)
  SBCB Seminar Series

Thursday 15 June 2023

• 14:00 - Multiscale investigations into lipid transporters
  Robert Clark (University of Oxford)
  SBCB Seminar Series

Friday 23 June 2023

• 14:00 - Machine Learning Based Tools for Force-Field Development and Enhanced Sampling
  Dr. Linfeng Zhang (DP Technology)
  SBCB Seminar Series

Thursday 29 June 2023

• 14:00 - Analog Computing for Molecular Dynamics Simulations
  William Rochira (University of Oxford)
  SBCB Seminar Series

Thursday 6 July 2023

• 14:00 - Influence of Electronic Polarisation on Anion Behaviour within Ion Channels and Nanopores
  Linda Phan (University of Oxford)
  SBCB Seminar Series

Thursday 13 July 2023

• 14:00 - Title TBC
  Nikolai Juraschko (University of Oxford)
  SBCB Seminar Series

Thursday 20 July 2023

• 14:00 - Life on the edge: an integrative modelling approach to solving structures in situ
  Zephyr Ford (University of Oxford)
  SBCB Seminar Series

Thursday 27 July 2023

• 14:00 - Insights into the multiple roles played by lipopolysaccharides (LPS) in the outer membrane of E. coli
  Dheeraj Prakaash (University of Oxford)
  SBCB Seminar Series

Thursday 7 September 2023

• 14:00 - TCR-pMHC complex formation triggers CD3 dynamics
  Floris van Eerden (iFReC, Osaka University)
  SBCB Seminar Series

Thursday 12 October 2023

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  Prof Phil Biggin (University of Oxford)
  SBCB Seminar Series

Thursday 19 October 2023

• 14:00 - What is Computational Microbiology?
  Status: This talk has been cancelled
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 26 October 2023

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

Thursday 2 November 2023

• 14:00 - What is computational microbiology?
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 9 November 2023

• 14:00 - Effects of system complexity on interactions between antimicrobial peptides and the cell envelope of Gram-negative bacteria
  Cyril Schroeder (University of Oxford)
  SBCB Seminar Series

Thursday 16 November 2023

• 14:00 - Plasticity of the selectivity filter is essential for ion permeation in lysosomal TPC2 channels
  Dr Afroditi-Maria Zaki ( University of Oxford)
  SBCB Seminar Series

Thursday 23 November 2023

• 14:00 - Quantifying Ion Channel Pore Asymmetry: Exploring its influence on conductance and barrier to permeation
  David Seiferth
  SBCB Seminar Series

Thursday 30 November 2023

• 14:00 - Paving the way for modelling coarse-grained carbohydrates
  Dr Astrid Bradner (University of Oxford)
  SBCB Seminar Series

Thursday 11 January 2024

• 15:00 - Preferential Lipid Interactions of the KDEL Receptor Revealed by Molecular Dynamics
  Dr Jonathan Colburn (University of Oxford)
  SBCB Seminar Series

Thursday 18 January 2024

• 15:00 - Predicting Antimicrobial Resistance to Rifampicin in Mycobacterium Tuberculosis using Machine Learning
  Dr Charlotte Lynch (University of Oxford)
  SBCB Seminar Series

Thursday 25 January 2024

• 15:00 - OpenFE: community-driven open source tooling for alchemistry
  Dr Irfan Alibay
  SBCB Seminar Series

Thursday 1 February 2024

• 15:00 - What’s lipids got to do with it? What’s lipids, but a second-hand emulsion?
  Dr. Tim Carpenter (Lawrence Livermore National Laboratory)
  SBCB Seminar Series

Thursday 22 February 2024

• 14:00 - Molecular dynamics of RNA translocation through a nanopore
  Zephyr Ford (University of Oxford)
  SBCB Seminar Series

Thursday 29 February 2024

• 14:00 - Utilising Molecular Dynamics to Study the Interaction of Multivalent Dendrimer with E.coli Outer Membrane
  Mingyu Qin (University of Oxford)
  SBCB Seminar Series

Thursday 7 March 2024

• 11:00 - Absolute binding free energy calculations for membrane targets in the TRPC3/6 subfamily of proteins
  Nithishwer Mouroug Anand (University of Oxford)
  SBCB Seminar Series

Thursday 14 March 2024

• 14:00 - Redesign of Phi29 connector protein for membrane insertion through self-assembly simulations
  Aleksandr Kovalenko (University of Oxford)
  SBCB Seminar Series

Thursday 21 March 2024

• 14:00 - How can we use molecular dynamics to understand lipid transport in bacteria?
  Robert Clark (University of Oxford)
  SBCB Seminar Series

Thursday 25 April 2024

• 14:00 - Part II Talks
  Ho Chu (University of Oxford), Carl von Hallerstein (University of Oxford)
  SBCB Seminar Series

Thursday 2 May 2024

• 14:00 - Part II Talks
  Evan Burke (University of Oxford)
  SBCB Seminar Series

Thursday 9 May 2024

• 14:00 - Are popular force fields good enough for soluble crowded systems?
  Nikolai Juraschko (University of Oxford)
  SBCB Seminar Series

Thursday 16 May 2024

• 14:00 - Insertion of Polymyxin B1 into the E. coli outer membrane revealed by large-scale molecular dynamics simulations
  Dheeraj Prakaash (University of Oxford)
  SBCB Seminar Series

Thursday 23 May 2024

• 14:00 - Exploring the performance of ABFE calculations in membrane bound drug targets
  Nithishwer Mouroug Anand (University of Oxford)
  SBCB Seminar Series

Thursday 30 May 2024

• 14:00 - Title TBC
  Status: This talk has been cancelled
  Kahlan Newman (University of Oxford)
  SBCB Seminar Series

Thursday 6 June 2024

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  Iain Smith (University of Oxford)
  SBCB Seminar Series

Thursday 13 June 2024

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  TBA
  SBCB Seminar Series

Thursday 20 June 2024

• 14:30 - Title TBC
  Status: This talk is in preparation - details may change
  TBA
  SBCB Seminar Series

Thursday 27 June 2024

• 14:30 - Title TBC
  Status: This talk is in preparation - details may change
  Daniel Crusius (University of Oxford)
  SBCB Seminar Series

Events this person is organising:

Thursday 6 October 2022

• 14:00 - Simulations to understand membrane protein dynamics and drug actions
  Prof Phil Biggin (University of Oxford)
  SBCB Seminar Series

Thursday 13 October 2022

• 14:15 - Khalid group: Microbiology with computers
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 27 October 2022

• 14:00 - Effects of induced polarisation on nanoscale behaviour of anions in anion carriers
  David Seiferth
  SBCB Seminar Series

Thursday 3 November 2022

• 13:00 - Making Martini 3 sweeter: extension to simulate oligosaccharides in a generalised fashion
  Astrid Brandner (University of Oxford)
  SBCB Seminar Series

Thursday 10 November 2022

• 14:00 - Elucidating the interaction patterns between antimicrobial peptides and the cell envelopes of Gram-negative bacteria using molecular dynamics simulations
  Cyril Schroeder (University of Oxford)
  SBCB Seminar Series

Thursday 17 November 2022

• 14:00 - Bacterial chemotaxis and methane metabolism: structure-function analysis of the underlying supramolecular assemblies
  Keith Cassidy (University of Oxford)
  SBCB Seminar Series

Thursday 24 November 2022

• 15:00 - Machine learning vs protein conformational spaces
  Matteo Degiacomi (Durham University)
  SBCB Seminar Series

Thursday 1 December 2022

• 14:00 - Manipulate molecules in Virtual Reality with Narupa
  Jonathan Barnoud (University of Bristol)
  SBCB Seminar Series

Thursday 12 January 2023

• 15:00 - Structural basis of peptidoglycan synthesis by E. coli RodA-PBP2 complex: Insights from molecular dynamics
  Jon Colburn (University of Oxford)
  SBCB Seminar Series

Thursday 19 January 2023

• 14:00 - Aberrant TRPC3 signalling in Spinocerebellar Ataxias
  Jodie Collingridge (University of Oxford)
  SBCB Seminar Series

Thursday 26 January 2023

• 14:00 - FEP calculations on GPCRs
  Eduard Neu (Friedrich-Alexander-Universität Erlangen-Nürnberg)
  SBCB Seminar Series

Thursday 2 February 2023

• 14:00 - Title TBC
  Status: This talk has been cancelled
  Emad Tajkhorshid (University of Illinois at Urbana-Champaign)
  SBCB Seminar Series

Thursday 9 February 2023

• 15:00 - BPS Review Session
  BPS Presenters (University of Oxford)
  SBCB Seminar Series

Thursday 2 March 2023

• 14:00 - Open Force Field: next generation force fields with open software, open data, and open science
  Lily Wang (Open Force Field Initiative)
  SBCB Seminar Series

Thursday 9 March 2023

• 14:00 - The mechanism of mammalian peptide transporters
  Simon Lichtinger (University of Oxford)
  SBCB Seminar Series

Thursday 16 March 2023

• 14:00 - The Fast and the Accurate? Cheminformatics and Molecular Dynamics for Cyclic Peptide Structure Prediction
  Daniel Crusius (University of Oxford)
  SBCB Seminar Series

Thursday 23 March 2023

• 14:00 - Applied Computer Science in Computational Virology
  Tyler Reddy (Los Alamos National Laboratory)
  SBCB Seminar Series

Thursday 30 March 2023

• 14:00 - Developing and sharing biomolecular simulation methods for modelling protein-ligand interactions
  Julien Michel (University of Edinburgh)
  SBCB Seminar Series

Thursday 27 April 2023

• 14:00 - Mixed - see abstract
  Jonathon Puleston (University of Oxford), Lilia Evgeniou (University of Oxford)
  SBCB Seminar Series

Thursday 4 May 2023

• 14:00 - Mixed - see abstract
  Bailey Cameron (University of Oxford), Fergus Waterhouse (University of Oxford)
  SBCB Seminar Series

Thursday 11 May 2023

• 14:00 - Structure-based discovery of opioid and nonopioid analgesics
  Prof. Dr. Peter Gmeiner (University of Erlangen-Nuremberg)
  SBCB Seminar Series

Thursday 18 May 2023

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

Thursday 1 June 2023

• 14:00 - Multiscale modelling of transmembrane transport processes with kinetic cycle models
  Oliver Beckstein (Arizona State University)
  SBCB Seminar Series

Thursday 8 June 2023

• 14:00 - Absolute binding free energy calculations for membrane targets in the TRPC3/6 subfamily of proteins
  Nithishwer Mouroug Anand (University of Oxford)
  SBCB Seminar Series

Thursday 15 June 2023

• 14:00 - Multiscale investigations into lipid transporters
  Robert Clark (University of Oxford)
  SBCB Seminar Series

Friday 23 June 2023

• 14:00 - Machine Learning Based Tools for Force-Field Development and Enhanced Sampling
  Dr. Linfeng Zhang (DP Technology)
  SBCB Seminar Series

Thursday 29 June 2023

• 14:00 - Analog Computing for Molecular Dynamics Simulations
  William Rochira (University of Oxford)
  SBCB Seminar Series

Thursday 6 July 2023

• 14:00 - Influence of Electronic Polarisation on Anion Behaviour within Ion Channels and Nanopores
  Linda Phan (University of Oxford)
  SBCB Seminar Series

Thursday 13 July 2023

• 14:00 - Title TBC
  Nikolai Juraschko (University of Oxford)
  SBCB Seminar Series

Thursday 20 July 2023

• 14:00 - Life on the edge: an integrative modelling approach to solving structures in situ
  Zephyr Ford (University of Oxford)
  SBCB Seminar Series

Thursday 27 July 2023

• 14:00 - Insights into the multiple roles played by lipopolysaccharides (LPS) in the outer membrane of E. coli
  Dheeraj Prakaash (University of Oxford)
  SBCB Seminar Series

Thursday 7 September 2023

• 14:00 - TCR-pMHC complex formation triggers CD3 dynamics
  Floris van Eerden (iFReC, Osaka University)
  SBCB Seminar Series

Thursday 12 October 2023

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  Prof Phil Biggin (University of Oxford)
  SBCB Seminar Series

Thursday 19 October 2023

• 14:00 - What is Computational Microbiology?
  Status: This talk has been cancelled
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 26 October 2023

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

Thursday 2 November 2023

• 14:00 - What is computational microbiology?
  Professor Syma Khalid (University of Oxford)
  SBCB Seminar Series

Thursday 9 November 2023

• 14:00 - Effects of system complexity on interactions between antimicrobial peptides and the cell envelope of Gram-negative bacteria
  Cyril Schroeder (University of Oxford)
  SBCB Seminar Series

Thursday 16 November 2023

• 14:00 - Plasticity of the selectivity filter is essential for ion permeation in lysosomal TPC2 channels
  Dr Afroditi-Maria Zaki ( University of Oxford)
  SBCB Seminar Series

Thursday 23 November 2023

• 14:00 - Quantifying Ion Channel Pore Asymmetry: Exploring its influence on conductance and barrier to permeation
  David Seiferth
  SBCB Seminar Series

Thursday 30 November 2023

• 14:00 - Paving the way for modelling coarse-grained carbohydrates
  Dr Astrid Bradner (University of Oxford)
  SBCB Seminar Series

Thursday 11 January 2024

• 15:00 - Preferential Lipid Interactions of the KDEL Receptor Revealed by Molecular Dynamics
  Dr Jonathan Colburn (University of Oxford)
  SBCB Seminar Series

Thursday 18 January 2024

• 15:00 - Predicting Antimicrobial Resistance to Rifampicin in Mycobacterium Tuberculosis using Machine Learning
  Dr Charlotte Lynch (University of Oxford)
  SBCB Seminar Series

Thursday 25 January 2024

• 15:00 - OpenFE: community-driven open source tooling for alchemistry
  Dr Irfan Alibay
  SBCB Seminar Series

Thursday 1 February 2024

• 15:00 - What’s lipids got to do with it? What’s lipids, but a second-hand emulsion?
  Dr. Tim Carpenter (Lawrence Livermore National Laboratory)
  SBCB Seminar Series

Thursday 22 February 2024

• 14:00 - Molecular dynamics of RNA translocation through a nanopore
  Zephyr Ford (University of Oxford)
  SBCB Seminar Series

Thursday 29 February 2024

• 14:00 - Utilising Molecular Dynamics to Study the Interaction of Multivalent Dendrimer with E.coli Outer Membrane
  Mingyu Qin (University of Oxford)
  SBCB Seminar Series

Thursday 7 March 2024

• 11:00 - Absolute binding free energy calculations for membrane targets in the TRPC3/6 subfamily of proteins
  Nithishwer Mouroug Anand (University of Oxford)
  SBCB Seminar Series

Thursday 14 March 2024

• 14:00 - Redesign of Phi29 connector protein for membrane insertion through self-assembly simulations
  Aleksandr Kovalenko (University of Oxford)
  SBCB Seminar Series

Thursday 21 March 2024

• 14:00 - How can we use molecular dynamics to understand lipid transport in bacteria?
  Robert Clark (University of Oxford)
  SBCB Seminar Series

Thursday 25 April 2024

• 14:00 - Part II Talks
  Ho Chu (University of Oxford), Carl von Hallerstein (University of Oxford)
  SBCB Seminar Series

Thursday 2 May 2024

• 14:00 - Part II Talks
  Evan Burke (University of Oxford)
  SBCB Seminar Series

Thursday 9 May 2024

• 14:00 - Are popular force fields good enough for soluble crowded systems?
  Nikolai Juraschko (University of Oxford)
  SBCB Seminar Series

Thursday 16 May 2024

• 14:00 - Insertion of Polymyxin B1 into the E. coli outer membrane revealed by large-scale molecular dynamics simulations
  Dheeraj Prakaash (University of Oxford)
  SBCB Seminar Series

Thursday 23 May 2024

• 14:00 - Exploring the performance of ABFE calculations in membrane bound drug targets
  Nithishwer Mouroug Anand (University of Oxford)
  SBCB Seminar Series

Thursday 30 May 2024

• 14:00 - Title TBC
  Status: This talk has been cancelled
  Kahlan Newman (University of Oxford)
  SBCB Seminar Series

Thursday 6 June 2024

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  Iain Smith (University of Oxford)
  SBCB Seminar Series

Thursday 13 June 2024

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  TBA
  SBCB Seminar Series

Thursday 20 June 2024

• 14:30 - Title TBC
  Status: This talk is in preparation - details may change
  TBA
  SBCB Seminar Series

Thursday 27 June 2024

• 14:30 - Title TBC
  Status: This talk is in preparation - details may change
  Daniel Crusius (University of Oxford)
  SBCB Seminar Series