Integrated Approaches to Understanding the Role of Multi-Drug Efflux Systems in Health and Disease

Glycan Function and Structure from Nucleus to Niche

GPCRs: From Single Molecules to New Forms of Treatment

Understanding GPCR Function from Structural Biology to In Vivo Models

The events could be of value to the community as it will showcase the CCP5 software framework and its application for bio-molecule force-field model set-up and other general complex and organic molecules such as drugs and polymers. DL_FIELD and DL_POLY offer advantages in setting up multi-component, complex systems, including organic-inorganic interfaces, by utilising a wide range of force-field schemes and a large selection of MD techniques, not commonly available in other traditional, bio-simulation programs. Access to modelling polymer and organic systems on the mesoscale is facilitated by DL_MESO via Dissipative Particle Dynamics.

The aim of the training workshop is to provide course material and training to the following molecular modelling packages â€" DL_POLY, DL_FIELD, DL_MESO and DL_CGMAP. DL_MONTE and ChemShell will also be showcased on day 3 (5 April 2017); however, support for these packages will be limited during the tutorial sessions.

The events are an opportunity for current and potential users of DL_Software to learn what methodologies and algorithms these programs offer, how to use them efficiently and best apply to user specific needs. The workshop also offers demonstrations and hands-on sessions giving users the opportunity to compile, run and experiment with the programs as well as interact with their developers.

For the full workshop description and registration, please click here

The Hack Day is a one-day technical workshop aiming specifically for researchers who are interested to modify the supported DL_Software programs (DL_POLY, DL_FIELD, DL_MESO, ChemShell, DL_MONTE) and tailor model set-up to their specific project needs. For instance: model set-up, software porting, addition of new features, modification of the existing features, etc. (please, state your needs in the registration page). In addition, the Hack Day is the best opportunity for those who may be interested to seek advice and help in simulation set-up and model development, work flow scripting, job submissions, etc.

For the Hack Day registration, please click here

The Diamond Light Source Macromolecular Crystallography group would like to invite both our academic and industrial users to MX beamline training sessions on the 22nd and 23rd February 2017.

The aim is to provide MX users with sufficient training to be able to operate any of the Diamond MX beamlines efficiently and to get the most benefit from their beamtime. The training will involve hands-on sessions on the suite of five operational MX beamlines (http://www.diamond.ac.uk/mx-home/) as well as optional offline software sessions.

 Sessions include:
22nd February afternoon optional session hands-on software:

Tutorial sessions:

• Â CCP4i2: scaling with Aimless, phasing and refinement (CCP4 team)
• Â Data processing with DIALS and Mosflm

• Multi-axis goniometry / Anomalous data collection
• Sample humidity control (HC1)
• I24 new end station/ In-situ diffraction
• Experiment database:Â ISPyB
• MX pipeline / autoprocessing

Structure-Function Relations in Viruses and Virus-Like Materials

Plant Lipid-Mediated Post-Translational Modification

Nanoscale Exploration of Viral Structure and Function for Applications in Medicine and Materials Research

Biological Roles of Metals and Harnessing Their Chemical Power

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The session topics will be as follows:

• Metals in Pathogenesis, Human Health and Medicine
• Biogenesis and Chemistry of Enzyme Metallocofactors
• Structural and Spectroscopic Characterization of Metalloproteins
• Artificial Protein and Molecular Design
• Biological Electron Transfer and Renewable Energy Applications

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Biological Metals: Regulation, Catalysis, Medicine, the Environment and Chemical Evolution

Structural Biology to Enhance High-Impact Research in Health and Disease

Intended for advanced PhD students, postdocs and young scientists

Theoretical and in-depth tutorial training on state-of-the-art methods in macromolecular crystallography

Main topics

• Diffraction data processing
• Phasing and structure determination
• Model refinement and validationÂ

Preliminary list of speakers

• Alejandro Buschiazzo
• Kay Diederichs
• Paul Emsley
• Richard Garratt
• Eugene Krissinel
• Andrey Lebedev
• Garib Murshudov
• Clemens Vonrhein
  

ISBC2017 will provide five days of lectures and practical demonstrations related to the crystallization of biological macromolecules, biominerals and biomimetic materials, with one full day devoted to case studies on the crystallization of membrane proteins, viruses and large macromolecular complexes.

ISBC Granada 2017 will focus on the fundamentals of crystallization from solution and its applications for the crystallization of biological materials.

• Nucleation: Classical and non-classical approaches
• Crystal growth kinetics and mechanisms
• Properties of macromolecular solutions (DLS/SAXS)
• Screening: The search for crystallization conditions
• Crystallization techniques: Batch, Vapour and Counter Diffusion, How do they work?
• Crystallization and diffusion transport: gels, microfluidics and microgravity
• Crystallization of large crystals for Neutron diffraction
• In vivo crystallization of tiny crystals for XFEL
• Polymorphism in protein crystals
• Robotics and crystallization
• Case studies in Membrane Protein Crystallization
  
• Lipid cubic phase, bicelles and detergents
• Case studies in crystallization of Large Macromolecular Complexes
• In vitro and in vivo studies of Biomineralization processes

Data Collection and Structure Solving: A Practical Course in Macromolecular X-ray Diffraction Measurement

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The aim of the RapiData course is to educate and train young scientists in data collection and processing methods at synchrotron beamlines, using state-of-the-art software and instrumentation

The course will comprise hands-on experiments at the SSRL beamlines, software tutorials, and lectures on the following topics:

• Specimen preparation, tactics in data collection
• X-ray light sources
• X-ray detectors
• Data reduction
• Structure solving by MAD, SAD and Molecular replacement
• Complementary methods (spectroscopy and small angle scattering)

The conference will focus on current topics of research and development in the field of crystal growth and epitaxy.Â

The topics of the conference include:

• Silicon and Germanium
• Compound semiconductor materials
• Oxides and intermetallics
• Novel materials
• Bioinspired materials
• Nucleation of nanoparticles
• Mesocrystals and Protein Crystallization

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