June 30, 2025 Sphingosine simultaneously inhibits nuclear import and activates PP2A by binding importins and PPP2R1A Aimee Edinger, David Mobley, Steve Hanessian and others
May 14, 2025 Evaluating the Functional Importance of Conformer-Dependent Atomic Partial Charge Assignment David Mobley and others
February 20, 2025 IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates David Mobley and others
February 14, 2025 The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks David Mobley and others
February 13, 2025 BPS2025 – Development and Benchmarking of the Open Force Field Initiative Self-Consistent Force Field for Proteins and Small Molecules David Mobley and others
December 9, 2024 Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters David Mobley and others
November 30, 2024 Partially Sulfated Pillar[5]arenes: Synthesis and Molecular Recognition Properties David Mobley and others
November 26, 2024 Kinetics-Based State Definitions for Discrete Binding Conformations of T4 L99A in MD via Markov State Modeling David Mobley and others
November 5, 2024 Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations David Mobley and others
September 3, 2024 Leveraging a separation of states method for relative binding free energy calculations in systems with trapped waters David Mobley and others
