Luo R - Search Results

1

PyRESP: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields.

Zhao S, Wei H, Cieplak P, Duan Y, Luo R. Zhao S, et al. Among authors: luo r. J Chem Theory Comput. 2022 Jun 14;18(6):3654-3670. doi: 10.1021/acs.jctc.2c00230. Epub 2022 May 10. J Chem Theory Comput. 2022. PMID: 35537209 Free PMC article.

2

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.

Duan Y, Wu C, Chowdhury S, Lee MC, Xiong G, Zhang W, Yang R, Cieplak P, Luo R, Lee T, Caldwell J, Wang J, Kollman P. Duan Y, et al. Among authors: luo r. J Comput Chem. 2003 Dec;24(16):1999-2012. doi: 10.1002/jcc.10349. J Comput Chem. 2003. PMID: 14531054

3

New-generation amber united-atom force field.

Yang L, Tan CH, Hsieh MJ, Wang J, Duan Y, Cieplak P, Caldwell J, Kollman PA, Luo R. Yang L, et al. Among authors: luo r. J Phys Chem B. 2006 Jul 6;110(26):13166-76. doi: 10.1021/jp060163v. J Phys Chem B. 2006. PMID: 16805629

4

On removal of charge singularity in Poisson-Boltzmann equation.

Cai Q, Wang J, Zhao HK, Luo R. Cai Q, et al. Among authors: luo r. J Chem Phys. 2009 Apr 14;130(14):145101. doi: 10.1063/1.3099708. J Chem Phys. 2009. PMID: 19368474

5

Development of polarizable models for molecular mechanical calculations I: parameterization of atomic polarizability.

Wang J, Cieplak P, Li J, Hou T, Luo R, Duan Y. Wang J, et al. Among authors: luo r. J Phys Chem B. 2011 Mar 31;115(12):3091-9. doi: 10.1021/jp112133g. Epub 2011 Mar 10. J Phys Chem B. 2011. PMID: 21391553 Free PMC article.

6

Development of polarizable models for molecular mechanical calculations II: induced dipole models significantly improve accuracy of intermolecular interaction energies.

Wang J, Cieplak P, Li J, Wang J, Cai Q, Hsieh M, Lei H, Luo R, Duan Y. Wang J, et al. Among authors: luo r. J Phys Chem B. 2011 Mar 31;115(12):3100-11. doi: 10.1021/jp1121382. Epub 2011 Mar 10. J Phys Chem B. 2011. PMID: 21391583 Free PMC article.

7

Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization.

Wang J, Cieplak P, Li J, Cai Q, Hsieh MJ, Luo R, Duan Y. Wang J, et al. Among authors: luo r. J Phys Chem B. 2012 Jun 21;116(24):7088-101. doi: 10.1021/jp3019759. Epub 2012 Jun 6. J Phys Chem B. 2012. PMID: 22612331 Free PMC article.

8

Development of polarizable models for molecular mechanical calculations. 3. Polarizable water models conforming to Thole polarization screening schemes.

Wang J, Cieplak P, Cai Q, Hsieh MJ, Wang J, Duan Y, Luo R. Wang J, et al. Among authors: luo r. J Phys Chem B. 2012 Jul 19;116(28):7999-8008. doi: 10.1021/jp212117d. Epub 2012 Jul 5. J Phys Chem B. 2012. PMID: 22712654 Free PMC article.

9

Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations.

Wang J, Cai Q, Xiang Y, Luo R. Wang J, et al. Among authors: luo r. J Chem Theory Comput. 2012 Aug 14;8(8):2741-2751. doi: 10.1021/ct300341d. Epub 2012 Jun 18. J Chem Theory Comput. 2012. PMID: 23185142 Free PMC article.

10

Electrostatic forces in the Poisson-Boltzmann systems.

Xiao L, Cai Q, Ye X, Wang J, Luo R. Xiao L, et al. Among authors: luo r. J Chem Phys. 2013 Sep 7;139(9):094106. doi: 10.1063/1.4819471. J Chem Phys. 2013. PMID: 24028101 Free PMC article.

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