Philip E. Bourne

TL;DR: A Proteome-wide Off-target Pipeline (POP) that integrates ligand binding site analysis, protein-ligand docking, the statistical analysis of docking scores, and electrostatic potential calculations is developed.

TL;DR: In this paper, a computational biologist with 40 years of research experience says bioinformatics is dead and the short answer is, in being the Founding Dean of a new School of Data Science, what we do suddenly looks different.

TL;DR: In this article , the authors argue that despite their advantages, cloud platforms in and of themselves do not automatically support FAIRness and propose that emphasizing modularity and interoperability would lead to a more powerful Unix-like ecosystem of web services for biomedical analysis and data retrieval.

TL;DR: The recursive construction of the intrinsic multipole moments are described and the algebraic expression of the multipole centers are derived and the resulting distributed multipole expansion provides a conceptual framework for the analysis and modeling of the electrostatic field and of its associated distribution of charge.

TL;DR: This sequel to the 2007 contribution to the Ten Simple Rules series attempts to distil the essence of Richard Hamming's authoritative advice into ten rules that will equip the reader to more confidently face the unremitting emergence of an exponentially increasing amount of new knowledge, coupled with the equally relentless obsolescence of established knowledge, in a world containing a greater number of scientists than ever before.