Molecular Modelling with Schrödinger Workshop, Online

December 6, 2021 to December 7, 2021

Schrödinger scientists will be leading virtual workshops on December 6th & 7th in collaboration with Leibniz Supercomputing Centre (LRZ). The workshops will feature presentations to illustrate how the Schrödinger platform can be used in drug discovery programs and hands-on training featuring the Schrödinger Materials Science solutions.
 
Registration:
The workshops are free to those located in the EU but registration is required. You can register by clicking here.

Agenda:
Drug Discovery: Monday, December 6th, 09:00-15:00 (CET)
- Biologics Modelling (09:00-10:30)
- Coffee Break (10:30-10:40)
- Molecular Dynamics Simulations (10:40-12:00)
- Lunch Break (12:00-13:00)
- PyMOL (13:00-15:00)

Materials Science: Tuesday, December 7th, 10:00-13:00 (CET)
- Polymer Innovation with the Schrödinger Materials Science Suite (10:00-11:30)
- Coffee Break (11:30-11:40)
- Surface Modelling with the Schrödinger Materials Science Suite (11:40-13:00)


Workshop Description:
December 6th: Drug Discovery
The Schrödinger drug discovery platform encompasses solutions for predictive physics-based modelling, machine learning, data analytics, and collaboration. Through hands-on exercises and interactive presentations, we will work together with the attendees on industrial-level computational modelling tasks in the fields of chemical and biological molecular design. Beginning from target analysis and preparation of compound library via enumeration and virtual screening cascades involving ligand- and structure-based methodologies...READ MORE

December 7th: Materials Science
Polymeric materials have found widespread applications across a diverse range of industries. Typically, the performance of polymers depends on a multitude of parameters which makes traditional research approaches, relying on experiments solely, slow, inefficient, and prohibitively expensive. Molecular modelling approaches can significantly speed up the process of polymer discovery and characterization by filtering out unsuitable materials at an early stage and therefore reducing the number of experiments significantly...READ MORE

Computing atomic-scale models of surfaces and interfaces with density functional theory (DFT) is a powerful way to address research questions in heterogeneous catalysis, thin film deposition (CVD, ALD, etc), sensors, photovoltaics, and batteries...READ MORE

Contact: If you have any questions, please contact Rita Podzuna

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