2023 Summer School on

Computational Tools for Structural Interpretation
of Ion Mobility Spectra

Project Superposition Approximation (PSA)
Structure Relaxation Approximation (SRA)

Summer School Contents

All lectures are hybrid events except for poster sessions and lab tour.

There will be a 15-minute break after each 45-minutes lecture period.

Zoom link for remote participation are sent separately via email.

March 13^th, 2023 (EDT Time Zone)

9:00 am – 9:20 am	Introduction to workshop & overview of lecture contents
9:20 am – 9:45 am	Introduction to ion mobility spectrometry
10:00 am – 10:45 am	Fundamentals of IMS (I). Measurements of ion mobilities and cross sections
11:00 am – 11:45 am	Fundamentals of IMS (II). Momentum transfer cross sections
12:00 pm – 1:00 pm	Lunch break
1:15 pm – 2:00 pm	Fundamentals of IMS (III). Molecular dynamics of macromolecules
2:15 pm – 3:00 pm	Projection Superposition Approximation (PSA)
3:15 pm – 4:00 pm	Tutorial (I). Calculating protein cross sections using the PSA webserver
4:15 pm – 5:00 pm	Tutorial (II). Installing and running the PSA on your own compute server
5:45 pm – 7:45 pm	Poster session I (in-person) & dinner Odd-numbered posters present

March 14^th, 2023 (EDT Time Zone)

9:00 am – 9:45 am	Protein dynamics & molecular dynamics simulations (Dr. Wei Yang)
10:00 am – 10:45 am	Proteins in the gas phase: Native ion mobility / mass spectrometry
11:00 am – 11:45 am	Structure relaxation approximation (I). Concepts
12:00 pm – 1:00 pm	Lunch break
1:15 pm – 2:00 pm	Structure relaxation approximation (II). Case studies
2:15 pm – 3:00 pm	Tutorial (III). Installation & basic operation of the SRA software.
3:15 pm – 4:15 pm	Tandem ion mobility spectrometry & tandem-TIMS/MS
4:30 pm – 5:30 pm	Bleiholder lab tour (in-person)
5:45 pm – 7:45 pm	Poster session II (in-person) & dinner Even-numbered posters present

March 15^th, 2023 (EDT Time Zone)

9:00 am – 9:45 am	SRA (III). Prediction of charge state-specific ion mobility spectra
10:00 am – 10:45 am	Tutorial (IV). SRA: a walk-through with Leu-Enkephaline.
11:00 am – 11:45 am	SRA (V). Protein complexes

For More Info:

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