In early July I attended the the Seventh Joint Sheffield Conference on Cheminformatics. There was a variety of talks with speakers at all stages of their career. I was lucky enough to be invited to speak at the conference, and gave my first conference talk! I have written two blog posts about the conference: part 1 briefly describes a talk that I found interesting and\u00a0part 2 describes the work I spoke about at the conference.<\/p>\n
One of the most interesting parts of the conference was the active twitter presence. #ShefChem16. All of the talks\u00a0were live tweeted which provided a summary of each talk and also included links to software or references. It also allowed speakers to gain insight and feedback on their talk instantly.<\/p>\n
One of the talks I found most interesting presented\u00a0the Protein-Ligand Interaction Profiler (PLIP). It is a method for the detection of protein-ligand interactions. PLIP is open-source and has a web-based online tool and a command-line tool. Unlike PyMol which only calculates polar contacts, and not the type of interaction, PLIP calculates 8 different types of interactions: hydrogen bonding, hydrophobic,\u00a0\u03c0-\u03c0 stacking,\u00a0\u03c0-cation interactions, salt bridges, water bridges, halogen bonds, metal complexes. For a given pdb file the interactions are calculated and shown in a publication quality figure shown here.<\/span><\/span><\/span><\/p>\n
![\"Screen](\"https:\/\/i0.wp.com\/www.blopig.com\/blog\/wp-content\/uploads\/2016\/07\/Screen-Shot-2016-07-20-at-14.16.23.png?ssl=1\")
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