Macromolecular Modeling Blog ™

Keen observers and avid followers of this blog must have noticed the dwindle if not complete lack of posts in the past 3-4 months. The main reason for this drought was my personal and professional transition. I have completed my Ph.D. studies (on peptide-protein interactions) at the Furman Lab (The Hebrew University, Jerusalem, Israel) and took a position as a post-doctoral fellow at the Schoichet Lab (University of California, San Francisco) in the field of structure based virtual screening of small molecules with a touch of Chemoinformatics.

The move, the acclimation to California and to a new research area, have left little to no time for writing, but now as the dust settles, I hope to find time now and then to share interesting papers, opinions and news. I imagine this change in research area will reflect in future content, and am sure you’ll find it as fascinating as I do.

Looking forwards to see what the future holds…

In a recent post, Derek Lowe, from “In The Pipeline”, asks his readership “If we could just walk right up and calculate the free energies of binding events reliably, what would you most want such calculations to be able to do for you? What would convince you that they’re actually believable? And how close to you think that we actually are to that?” We tried to briefly answer some of these questions. How close are we to predict small molecules binding free energy?

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