Web-Based Computational Chemistry Education with CHARMMing II: Coarse-Grained Protein Folding

por Pickard, Frank C., Miller, Benjamin T., Schalk, Vinushka, Lerner, Michael G., Woodcock, H. Lee, Brooks, Bernard R.
Publicado 2014

A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes

por König, Gerhard, Pickard, Frank C., Huang, Jing, Thiel, Walter, MacKerell, Alexander D., Brooks, Bernard R., York, Darrin M.
Publicado 2018

Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach

por Baumann, Hannah M., Dybeck, Eric, McClendon, Christopher L., Pickard, Frank C., Gapsys, Vytautas, Pérez-Benito, Laura, Hahn, David F., Tresadern, Gary, Mathiowetz, Alan M., Mobley, David L.
Publicado 2023