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Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
George A. Kaminski, Richard A. Friesner, Julian Tirado‐Rives, William L. Jorgensen (2001). Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides. The Journal of Physical Chemistry B, 105(28), pp. 6474-6487, DOI: 10.1021/jp003919d.
Article381 days agoEvaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
George A. Kaminski, Richard A. Friesner, Julian Tirado‐Rives, William L. Jorgensen (2001). Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides. The Journal of Physical Chemistry B, 105(28), pp. 6474-6487, DOI: 10.1021/jp003919d.
Article361 days agoFree Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model
George A. Kaminski, Erin M. Duffy, Tooru Matsui, William L. Jorgensen (1994). Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model. The Journal of Physical Chemistry, 98(49), pp. 13077-13082, DOI: 10.1021/j100100a043.
Article361 days agoPerformance of the AMBER94, MMFF94, and OPLS-AA Force Fields for Modeling Organic Liquids
George A. Kaminski, William L. Jorgensen (1996). Performance of the AMBER94, MMFF94, and OPLS-AA Force Fields for Modeling Organic Liquids. The Journal of Physical Chemistry, 100(46), pp. 18010-18013, DOI: 10.1021/jp9624257.
Article361 days agoA Quantum Mechanical and Molecular Mechanical Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions
George A. Kaminski, William L. Jorgensen (1998). A Quantum Mechanical and Molecular Mechanical Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions. The Journal of Physical Chemistry B, 102(10), pp. 1787-1796, DOI: 10.1021/jp980314x.
Article361 days ago