Daniel Zuckerman

Having trouble visualizing your data from WESTPA? Try WEDAP! A user-friendly plotting package from @darianyang and @ltchong (1/4) pubs.acs.org/doi/10.1021/ac…

The Theory and Comp subgroup from Biophysical Society has an early and a mid-career award, apply before August 1! please RT biophysics.org/awards-funding…

Bayesian inference is vital to interpreting experimental data. Learn the relationship of BI to statistical mechanics including important nuances, and get a ‘sampling’ of modern Monte Carlo methods for BI. pubs.acs.org/doi/10.1021/ac…

It's finally out! Outstanding work by @atbogetti @mczwier using @WestpaSoftware @ambermdprog

A recent news article in Nature described increasing numbers of editors mass resigning from for-profit journals, a symptom of misalignment of incentives between publishers’ demand for growth and profits, and the academics’ priority of quality, depth: nature.com/articles/d4158… 1/n

Awesome postdoc position alert!! Despite, or because of, being Twitter-less, Ed Lyman is a great mentor, scientist, and human being. Interested in membrane proteins, simulations, machine learning, physics, evolution, bioinformatics?? Apply! Check out below 👇👇👇

@adrian_roitberg Thank you for the kind words, Adrian!

If you ever wanted to know about non-equilibrium systems in biological systems, there are no better ways to do it than from Dr. Dan the Man ! He is a stickler for formal math, and at the same time a master of pedagogy.

New blog post up, on why @livecomsj matters! livecomsjournal.org/index.php/live… We're seeing some conventional journals adopting some of our ideas, so it's worth taking a moment to reflect. #compchem

Nonequilibrium physics rules the world. Here are eight chapters introducing key aspects of nonequilibrium biophysics illustrated with simple examples. osf.io/9yq2n/

Register now for the free WESTPA Workshop @Pitt_Chemistry, June 20-21. Explore rare event simulations like protein folding, ligand binding, & chemical reactions with our open-source software. Perfect for those using AMBER, NAMD, GROMACS, etc. Reg info: forms.gle/6gJF6jJ72iexbD…

And we also have a new suite of tutorials for getting started with the BioSimSpace framework for interoperable biomolecular simulations; this comes with a big set of example notebooks. livecomsjournal.org/index.php/live… #compchem

We have a new tutorial out, on absolute binding free energy calculation via a NAMD-based approach, SAFEP. livecomsjournal.org/index.php/live…

Possibly of interest to folks in the chemistry publishing/open access area. Does anyone know how download numbers for more traditional journals compare? Personally I haven't seen these types of stats except for preprints, where these seem to compare favorably, but I'm curious.

Nominate an outstanding early or mid-career scientist for an award from the Theory & Computation subgroup of the @BiophysicalSoc . biophysics.org/awards-funding…

Great opportunity to expand your skillset and impact!

We have a new issue out! This includes our first "version 2" article, an updated and expanded article dealing with a new version of the WESTPA enhanced sampling package: livecomsjournal.org/index.php/live… Issue: livecomsjournal.org/index.php/live… #compchem

Statistical mechanics - equil and noneq - can enhance sampling and data analysis. Microscopic mechanisms can be inferred from simple experimental data. Learn how, in one of the most beautiful parts of the world. Postdoc/student, email your suitable background, project ideas.

Important effort here. How can trainees avoid common (and less common) mistakes?

Our editorial on MD simulations presents a checklist for reporting and assessing simulation data and data #reproducibility as a guideline for publishing high quality computational work in the journal: nature.com/articles/s4200… by @lyna_yunluo @jungjin

The Cell, Developmental & Cancer Biology Summer Research Internship at @OHSUKnight is an opportunity for undergraduates to immerse themselves in research with @OHSUKnight faculty. Learn more and apply to join us today: spr.ly/6012MLdae