Roberto Tejero from the University of Valencia, Spain will join us on January 26th at 12:00pm EST to give a primer on PDBStat, a coordinate and protein NMR restraint converter.

PDBStat

PDBStat is a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble.

Learn more about PDBStat from the website.

Webinar connection instructions: We are using the …

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Our 3rd SBGrid-Schrodinger Users Group will be held on Tuesday, January 12th. Join us then to hear Woody Sherman, Vice President of Applications Science, will give a 30-minute presentation on ""The role of water molecules in protein preparation, docking, and scoring".

The role of water molecules in protein preparation, docking, and scoring

Water plays an essential role in biology, but the most appropriate way to incorporate water molecules into structure-based drug design approaches is not always clear. In this presentation, we will discuss the role of water molecules in protein preparation, docking, and scoring. We will focus on selected case studies where the treatment of explicit water molecules was …

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SBGrid Special Seminar - November 30th at 12:00pm EST. Join us to hear Filipe Maia from Uppsala University speak on “Single particle diffraction imaging at XFELs and the birth of femtosecond nano-crystallography”

Single particle diffraction imaging at XFELs and the birth of femtosecond nano-crystallography

The Linac Coherent Light Source (LCLS) at SLAC is the first hard X-ray free-electron laser (XFEL). It is capable of producing 10 million shots per day, running at 120Hz. The upcoming European XFEL will multiply this by more than a factor 100.

The LCLS beam is billions …

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Please join us June 21st at 12:00pm EDT for a webinar on the Python package ProDy presented by Ivet Bahar from the Department of Computational & Systems Biology, at the University of Pittsburgh School of Medicine

ProDy

ProDy is a free and open-source Python package for protein structural dynamics analysis, designed as a flexible and responsive API suitable for interactive usage and application development.

Learn more about ProDy from the website.

Webinar connection instructions: We are using the FUZE Meeting application to host our webinars, which is compatible with Mac, Linux, and Windows computers. To connect, …

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Schrodinger Users, please join us on Tuesday, November 10th for our second Schrodinger Working Group. Woody Sherman, Vice President of Applications Science, will give a 30-minute presentation on "Docking Tools within the Schrodinger Suite" followed by a brief introduction to the Schrodinger-SBGrid Glide setup and an introduction a subset of chemical compounds used for screening at the ICCB-Longwood Screening Facility by Jason Key, and a short Q&A session.

Docking Tools within the Schrodinger Suite

Webinar connection instructions: We are using the FUZE Meeting application to host our webinars, which is compatible with Mac and Windows computers or can be accessed through the web interface. To connect, follow the Meeting …

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