Alchemical free energy calculations

• alchemistry.org - information resource for alchemical free energy calculations
• Chodera lab Zotero library - useful literature, organized
• Michael R. Shirts, Department of Chemical Engineering, University of Virginia
• David L. Mobley, Pharmaceutical Sciences, University of California, Irvine
• Vijay S. Pande, Department of Chemistry, Stanford University
• Michael J. Schnieders, University of Iowa
• David D. D. L. Minh, IIT College of Science

Folding@home Consortium laboratories

• Folding@home - the main Folding@home page
• Folding@home Consortium - the Folding@home Consortium home
• Xuhui Huang, HKUST
• Peter Kasson, University of Virginia
• Erik Lindahl,
• Michael Shirts, University of Colorado, Boulder
• Chris Snow, Colorado State University
• Eric Sorin, CSU Long Beach
• Vincent Voelz, Temple University
• Bojan Zagrovic, MFPL

Software for computational chemistry

• OpenMM - GPU-accelerated API and library for molecular simulation
• OpenEye - tools for small-molecule manipulation and drug discovery
• Schrödinger - integrated suites for molecular simulation and design
• MolSSI - the Molecular Sciences Software Institute

Graduate programs

• Tri-Institutional PhD Program in Chemical Biology (TPCB)
• Tri-Institutional Computational Biology & Medicine graduate program
• WCMC Physiology, Biophysics, and Systems Biology
• Gerstner Sloan Kettering Graduate School of Biomedical Sciences