Jed W. Pitera

Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

Hans W. Horn, William C. Swope, Jed W. Pitera et al. · The Journal of Chemical Physics · 2004 · 2.1K citations

Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins

Michael R. Shirts, Jed W. Pitera, William C. Swope et al. · The Journal of Chemical Physics · 2003 · 674 citations

Free Energy, Engineering, Computational Chemistry +21

Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations

John D. Chodera, William C. Swope, Jed W. Pitera et al. · Journal of Chemical Theory and Computation · 2006 · 510 citations

Engineering, Mechanical Engineering, Simulation +28

Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory

William C. Swope, Jed W. Pitera, Frank Suits · The Journal of Physical Chemistry B · 2004 · 436 citations

Molecular Kinetics, Engineering, Rigorous Formalism +13

Accelerating materials discovery using artificial intelligence, high performance computing and robotics

Edward O. Pyzer‐Knapp, Jed W. Pitera, Peter Staar et al. · npj Computational Materials · 2022 · 345 citations · Full text

Artificial Intelligence, Materials Science, Technology +14