Molecular-Dynamics Simulation Methods for Macromolecular Crystallograhy | |
Image Source: Wych et al. (2023). Acta Cryst. D79, 50-65, https://doi.org/10.1107/S2059798322011871 | |
In a paper at Acta Crystallographica Section D, David C. Wych et al. evaluate the potential benefits of molecular-dynamics (MD) simulations for macromolecular crystallography (MX). This was done by performing "room-temperature X-ray diffraction studies of the catalytic subunit of mouse protein kinase A (PKA-C)" And then comparing this to crystalline MD simulations of PKA-C.
"The results led to the development of an MD-MX analysis procedure and several associated methods." "Based on the benefits seen applying these methods to PKA, they recommend incorporating their MD-MX procedure into MX studies, to decide among ambiguous interpretations of electron density that occur, inevitably, as part of standard model refinement." 1
(1).Wych DC, Aoto PC, Vu L, et al. Molecular-Dynamics Simulation Methods for Macromolecular Crystallography. bioRxiv; 2022. DOI: 10.1101/2022.04.04.486986.
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Cryogenic Storage and Shipping Solutions | |
When working with samples, you'll need to store and most likely ship them for analysis. To help you with this we offer two of the most popular storage and shipping solutions available. These are the HC34 freezer for storage and the CX100 dryshipper with upright shipping case for transport. Learn more about each below. | |
The HC34 is a high capacity LN2 freezer designed for longer term storage of your samples. It will hold 6 MiTeGen puck storage canes. A roller base for easy movement in the lab as well as an alarm is available. | |  |
CX100 Dryshipper With Shipping Case | The CX100 dryshipper with upright shipping case provides a safe and convenient way to ship your samples. The CX100 will keep your samples frozen during transport and the rugged shipping case protects the dryshipper. | | |
Need help choosing the cryogenic solution for your specific needs? Use the contact button below and let us know about your cryogenic needs and we'll assist you with finding the solution that's right for you. See all our cryogenic products. | |
APS Upgrade Shutdown - Alternative Beamlines | | |
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Are you a user of the APS (Advanced Photon Source) beamlines? As you know the beamlines at APS will be shutdown for an entire year to make way for upgrades. We can help you find an alternative beamline for your research as well as get you equipped to conduct your research there. Reach out to us and let us help you get up and running at an alternative beamline. | |
Small Molecule Crystallography Starter Kits | | |
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Last month we mentioned our Starter Kits for Protein Crystallography. This month its our Starter Kits for Small Molecule Crystallography.
These kits have everything you need to mount and collect X-ray data from your Small Molecules at both room temperature and at cryo temperatures.
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At MiTeGen, we sponsor numerous events, conferences, workshops and symposiums throughout the year. These events include fields such as structural biology, crystallography, cryo-EM, beamline research and more. We believe in supporting researchers and our industry. Listed below are two upcoming events you might find interesting. | |
The Annual Biophysical Society meeting is February 18th to 22nd 2023 in San Diego, CA. Includes workshops, poster competition, talks, vendor exhibits and a chance to learn about the newest emerging techniques and applications. We are exhibiting at the meeting. Stop by our booth (number 412), see our latest tools and lets talk! | | |
The West Coast Structural Biology Workshop is March 19th to 22nd in Pacific Grove, CA. The workshop focuses on the latest methods for structural analysis & provides hands-on workshops on advances in cryo-EM structure determination protocols, and an introduction to coding neural networks. There are also talks, poster presentations & vendor exhibits. We are exhibiting at this workshop. | | |
Looking For More Events, Workshops and Conferences | | |
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If you are looking for more events visit our events page. It lists conferences, workshops, symposiums, user meetings and more.
Topics include structural biology, material science, crystallography, cryo-EM, beamline research and more.
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Industry Resources and News | |
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Here is a small selection of industry resources and news for your browsing.
- Thermo Fisher Scientific has created a cryo-EM grant program for grad and post-doc students under which they can win a wide range of sample preparation products, reagents, and cryo-EM accessories - Learn more
- Learn about Phenix.douse which is a tool for automated water picking in cryo-EM maps - Learn more
- Canadian Light Source offers free tours of its synchrotron research facility during which you will learn about its history and how it makes intensely bright light - Learn more
- Paper at Acta Crystallographic Section D on using AlphaFold2 and DAQ score for protein model refinement of cryo-EM maps - Learn more
- Read about EMDBs EMICSS service which provides provides weekly updated cross-reference information for all EMDB entries, including both entry-level and sample-level annotations - Learn more
- Paper at IUCrJ explains how "machine learning and novel purpose-built image-processing and microscope-handling algorithms are incorporated into the automated data-collection software Leginon, to provide an open-source solution for fully automated high-throughput grid screening" - Learn more
- For EMDB users, the 2023 EMDB archive snapshot is now available for download - Learn more
- Researchers worldwide can now apply for access to Instruct-ERIC range of technologies, from Cryo-EM and NMR to SAXS and Mass Spectrometry - Learn more
- Paper at IUCrJ "presents the software toolbox Ptolemy, which uses machine learning to automate the task of selecting target regions in single-particle cryo-EM screening and data collection" - Learn more
- From the IUCr newsletter, read about René-Just Haüy and the birth of crystallography - Learn more
- From The MIT Press Reader, "Drawing Physics, From Aristotle’s Universe to Max von Laue’s X-Ray Crystallography - Drawings and short essays offer an illuminating peek into the history of scientific thought" - Learn more
- The Scientific Committee of the Louis-Jeantet Foundation is inviting nominations for the 2024 Louis-Jeantet Prizes. Nominations can be submitted by 22 February 2023 - Learn more
- Applications are now be accepted for the EMBO Young Investigator Programme. Deadline is April 1st - Learn more
- From the IUCr newsletter, a summary news from the Cambridge Structural Database - Learn more
- Beamline for Schools, an international physics competition for high school students, is now accepting application. Teams of high-school students can propose a scientific experiment that they want to perform at a particle accelerator - Learn More
- EMBO offers a podcast about the life sciences and science policy - Learn more
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A reminder that Our New Lab Program is available for those planning a new lab or are expanding their lab. It offers special discounts, startup bundles, and expert support and service. If you are starting or expanding your lab contact us and we'll explain the program in detail. Or if you know someone who is starting or expanding their lab please share this information with them. | |
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