Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - The Journal of …, 2001 - ACS Publications
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys. Chem …, 2001 - greeley.org
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys. Chem. B, 2001 - hod4.net
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys. Chem …, 2001 - sakai.rutgers.edu
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[引用][C] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - The Journal of Physical …, 2001 - infona.pl
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison
with Accurate Quantum Chemical Calculations on Peptides † × Close The Infona portal uses …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys. Chem. B, 2001 - hod4.net
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys …, 2001 - content.sakai.rutgers.edu
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys. Chem …, 2001 - hod.greeley.org
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …

[引用][C] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - The Journal of Physical …, 2001 - cir.nii.ac.jp
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with
Accurate Quantum Chemical Calculations on Peptides | CiNii Research CiNii 国立情報学研究所 …

[PDF][PDF] Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

GA Kaminski, RA Friesner, J Tirado-Rives… - J. Phys. Chem …, 2001 - greeley.org
We present results of improving the OPLS-AA force field for peptides by means of refitting
the key Fourier torsional coefficients. The fitting technique combines using accurate ab initio …