S12-CHE: ExSTASY Extensible Tools for Advanced Sampling and analYsis

Research output

Research output per year 2014 2015 2016 2016

• 4 Poster
• 4 Article
• 2 Abstract
• 2 Paper

Research output per year

Research output per year

Search results

• 2016

  Molecular Integration Simulation Toolkit - interfacing novel integrators with Molecular Dynamics codes

  Bethune, I., Breitmoser, E. & Leimkuhler, B., 19 Jun 2016.

  Research output: Contribution to conference › Poster

  Open Access

  File
• 2015

  ExTASY: A python-based Extensible Toolkit for Advanced Sampling and Analysis in Biomolecular Simulation

  Shkurti, A., Laughton, C., Goni, R., Bethune, I., Breitmoser, E., Jha, S., Clementi, C., Leimkuhler, B., Parpas, P. & Maggioni, M., Aug 2015.

  Research output: Contribution to conference › Poster › peer-review

  • Sampling 100%
  • Pythonidae 100%
  • Molecular Dynamics 33%

• MIST: Molecular Integration Simulation Toolkit

  Bethune, I., Breitmoser, E., Gobbo, G., Matthews, C. & Leimkuhler, B., Mar 2015.

  Research output: Contribution to conference › Poster › peer-review
• 2014

  Putting ExTASY in charge of an arduous computational challenge

  Shkurti, A., Laughton, C., Goni, R., Bethune, I., Breitmoser, E., Jha, S., Clementi, C., Leimkuhler, B., Parpas, P. & Maggioni, M., Nov 2014.

  Research output: Contribution to conference › Poster › peer-review