Thomas E. Cheatham

The Amber biomolecular simulation programs

David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text

Natural Sciences, Biophysics, Chemistry +17

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe, Thomas E. Cheatham · Journal of Chemical Theory and Computation · 2013 · 7.6K citations

Natural Sciences, Biophysics, Chemistry +16

Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models

Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations

Natural Sciences, Biochemistry, Biophysics +17

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

In Suk Joung, Thomas E. Cheatham · The Journal of Physical Chemistry B · 2008 · 3.7K citations · Full text

Natural Sciences, Biophysics, Chemistry +17

AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

David A. Pearlman, David A. Case, James W. Caldwell et al. · Computer Physics Communications · 1995 · 3.1K citations

Natural Sciences, Chemistry, Physics +17