Macromolecular Modeling Blog ™

CAPRI 5th evaluation meeting

Nir London — Tue, 30 Apr 2013 03:24:08 +0000

The CAPRI 5th evaluation meeting has just finished last week. Unfortunately I couldn’t attend this year. Fortunately, you can get the spirit of the meeting from this series of 3 blog posts over at Grid-Cast: Combining and conquering at the CAPRI 5th evaluation meeting Proteins by design – expanding on nature Wrapping up at CAPRI [...]

CASP10 conference

admin — Mon, 22 Oct 2012 01:04:27 +0000

Critical Assessment of Protein Structure Prediction *CASP10* 9-12 December 2012 | Gaeta, Italy Every two years since 1994 CASP has conducted a community wide experiment to assess the state of the art in protein structure modeling. The 2012 conference will report the results of 10th experiment and celebrate progress over almost 20 years of monitoring the field.

Two job openings at UCB coming soon!

Xavier Ambroggio — Wed, 29 Aug 2012 15:13:43 +0000

Two computational structural biologist job openings will be opening soon at UCB. Check out the Jobs Board for more information. Related postsProtein–protein interaction inhibitors get into the grooveJobs WantedScientist in Computational Protein Design Position at AdimabMolecular Modeling JobsLinkedIn groups related to macromolecular modeling

Does Organic Fluorine Accept Hydrogen Bonds?

Nir London — Mon, 27 Aug 2012 16:37:31 +0000

Recently, as part of a structure based virtual screening campaign I’m undertaking, the following pose popped up as one of the highest ranking solutions: Wow, that’s a nice looking fluorine-hydrogen bond (C-F···H-X) with that Asparagine, I thought to myself. But wait, can fluorine act as an hydrogen bond acceptor? A quick google scholar search came [...]

2012 RDG Corey Award

Xavier Ambroggio — Mon, 25 Jun 2012 17:45:07 +0000

The 2012 Rosetta Design Group Corey Award has been awarded to Brian Ross and Nicholaus (Nick) Trenton for their entry: Engineering of Reversible Rapamycin-Binding to FKBP and FRB The FKBP-rapamycin-FRB protein complex is an important tool used to study spatiotemporal protein dynamics in a cell. This tertiary complex, composed of FKBP and the FRB domain [...]

Direct and selective small molecule activation of BAX

Nir London — Wed, 20 Jun 2012 03:45:49 +0000

A virtual docking screen discovers a small molecule activator of the pro-apoptotic protein BAX. This novel approach could lead to a 'new generation' of apoptotic modulators that directly activate BCL-2 killer proteins. Moreover - it's cool!

Algorythms In Structural Bioinformatics – winter school

admin — Sun, 10 Jun 2012 02:38:38 +0000

A one-week school on Algorithms in Structural Bioinformatics. The aim is to introduce advanced methods in this domain, giving special attention to interdisciplinary approaches. The main focus will be on methodological developments meant to analyze and predict macromolecular assemblies, as well as on the corresponding software.

Weekly literature review

admin — Fri, 27 Apr 2012 03:49:43 +0000

A selection of this week's interesting papers, brought to you via the Furman Lab

Weekly literature review

admin — Tue, 17 Apr 2012 05:51:28 +0000

A selection of this week's interesting papers, brought to you via the Furman Lab

Rosetta 3.4 released

admin — Fri, 13 Apr 2012 02:38:00 +0000

Just a short note to let you know that Rosetta 3.4 was released a couple of weeks ago. This release contains new applications and features like Noncanonical amino acid utilities, Point mutations scan, New RNA applications and many more.