Skip to Content
  • Using the Same FEP Ruler

    With free energy perturbation having its time in the calculational spotlight, thanks to Schrödinger and others, it seems worthwhile to link to this new paper.… Read More
  • Levels of Data

    Here’s a brief article in Science that a lot of us should keep a copy of. Plenty of journalists and investors should do the same. It’s a summary of… Read More
  • Sanofi Bets on Schrödinger

    Sanofi has signed an expanded deal with Schrödinger, the computational chemistry folks. Here’s something from the press release: Schrödinger has made a… Read More
  • Not Even Wrong

    This paper is not going to make a lot of computational chemists very happy at all. It’s from Dan Singleton and Erik Plata at Texas A&M, and it’ Read More
  • Is FEP Ready For the World?

    Here’s a paper that basically throws down the computational gauntlet. A large group of authors from Schrödinger, Nimbus, Columbia, Yale, and UC-Irvine sa… Read More
  • The Old Binding Mode Switcheroo

    When a medicinal chemist gets a promising lead compound, the first thing that’s done to it is to start making modifications to the structure. Add methyls… Read More
Page 4 of 14« First...23456...10...Last »