US-SOMO Hydrodynamic Modelling

UltraScan Solution Modeler Hydrodynamic Modelling Workshop

Presenters: Emre Brookes, University of Texas, USA, and Mattia Rocco, IRCCS AOU San Martino-IST, Istituto Nazionale per la Ricerca sul Cancro, Italy

Description

UltraScan Solution Modeler (US-SOMO) processes atomic and lower-resolution bead model representations of biological and other macromolecules to compute various hydrodynamic parameters, such as the sedimentation and diffusion coefficients, relaxation times and intrinsic viscosity. This allows the researcher to validate structural models against experimental data. The tools available in US-SOMO have been shown to provide the best known computations of hydrodynamic parameters from experiment [1]. The US-SOMO hydrodynamics workshop will consist of three sessions. In the first session, attendees will be given an introduction to computational hydrodynamics and techniques. In the second session, users will utilize US-SOMO to compute hydrodynamics parameters from structures and to use automated batch processing to compute over multiple structures. In the third session additional examples will be presented. If users wish to bring their own structures, we will assist you at this time to process them with US-SOMO.

It is suggested that attendees attend, at minimum, any prior sessions of this three session workshop, as earlier material will not be repeated. Additionally, registered attendees will receive detailed software installation instructions in the week prior to the workshop. We will provide support to resolve any installation issues during this time.

This three session workshop will be presented as two sessions on Sunday at 13:00-15:00, 15:30-17:30 and one Monday from 9:00-11:00.

There will be a repeat of this workshop on Tuesday at 9:00-11:00, 11:30-13:30 and 14:30-16:30.

[1] Rocco M, Byron O., 2015, "Hydrodynamic Modeling and Its Application in AUC.", Methods Enzymol. 2015;562:81-108. doi: 10.1016/bs.mie.2015.04.010.