Protein modelling and its applications in current science 2017

Molecular modelling can progress challenging projects by providing theoretical protein structures and proposing interactions with small molecules.

The purpose of this training event was to familiarise participants with computational programmes to generate 3D models of proteins where no structural data is available. An emphasis was placed on critically evaluating the usefulness of models and modelling in general for solving scientific problems. The course was aimed at early career scientists, such as PhD students and PostDocs, and established scientists who were interested in applying computational approaches to their research in the fields of protein science, molecular health, medicinal chemistry and structural biology. The interplay between lecture, practical work and discussion ensured a stimulating and relaxed learning environment.

Participants had basic knowledge of:
·         Molecular viewer PyMOL and Jalview
·         Text-file editing in Linux
·         Linux operating system

A tutorial was be made available in advance for participants who would like to brush up on their knowledge or get familiar with PyMOL, Jalview and Linux. In-depth computational

Anja Winter (Keele University)
Thursday 6 April 2017
09:00 – 10:00 Registration

10:00 – 11:00
What could we use a model for? – Applications and place in a structural project
11:00 – 12:00
Finding homologues: How to classify proteins and use search engines
12:00 – 13:00 Lunch

13:00 – 14:00
Constructing a multiple sequence alignment using ClustalW and Jalview
14:00 – 15:00
Consolidating the alignment with structural information and secondary structure predictions
15:00 – 15:30 Refreshment Break

15:30 – 16:00
Choosing the template for modelling
16:00 – 17:30
Comparative modelling using Modeller
18:00 Dinner at Keele Hall

Friday 7 April 2017
09:00 – 10:00
Evaluating the model
10:00 – 11:00
Cavity analysis and surface modelling; applications in small molecule docking
11:00 – 11:30 Refreshment Break

11:30 – 12:30
Applications in small molecule docking
12:30 – 13:30 Lunch

13:30 – 14:30
Modelling of protein-protein and protein-DNA interactions
14:30 – 15:00
Publishing and archiving a model
15:00 – 15:15 Refreshment Break

15:15 – 17:30
Extended practise session and feedback


Apr 06 2017 - Apr 07 2017


All Day
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