Qi R - Search Results

1

Capturing Many-Body Interactions with Classical Dipole Induction Models.

Liu C, Qi R, Wang Q, Piquemal JP, Ren P. Liu C, et al. Among authors: qi r. J Chem Theory Comput. 2017 Jun 13;13(6):2751-2761. doi: 10.1021/acs.jctc.7b00225. Epub 2017 May 12. J Chem Theory Comput. 2017. PMID: 28482664 Free PMC article.

2

General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field.

Wang Q, Rackers JA, He C, Qi R, Narth C, Lagardere L, Gresh N, Ponder JW, Piquemal JP, Ren P. Wang Q, et al. Among authors: qi r. J Chem Theory Comput. 2015 Jun 9;11(6):2609-2618. doi: 10.1021/acs.jctc.5b00267. Epub 2015 Apr 28. J Chem Theory Comput. 2015. PMID: 26413036 Free PMC article.

3

Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field.

Jing Z, Qi R, Liu C, Ren P. Jing Z, et al. Among authors: qi r. J Chem Phys. 2017 Oct 28;147(16):161733. doi: 10.1063/1.4985921. J Chem Phys. 2017. PMID: 29096462 Free PMC article.

4

United polarizable multipole water model for molecular mechanics simulation.

Qi R, Wang LP, Wang Q, Pande VS, Ren P. Qi R, et al. J Chem Phys. 2015 Jul 7;143(1):014504. doi: 10.1063/1.4923338. J Chem Phys. 2015. PMID: 26156485 Free PMC article.

5

General van der Waals potential for common organic molecules.

Qi R, Wang Q, Ren P. Qi R, et al. Bioorg Med Chem. 2016 Oct 15;24(20):4911-4919. doi: 10.1016/j.bmc.2016.07.062. Epub 2016 Aug 2. Bioorg Med Chem. 2016. PMID: 27519463 Free PMC article.

6

Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution.

Qi R, Jing Z, Liu C, Piquemal JP, Dalby KN, Ren P. Qi R, et al. J Phys Chem B. 2018 Jun 21;122(24):6371-6376. doi: 10.1021/acs.jpcb.8b03194. Epub 2018 Jun 11. J Phys Chem B. 2018. PMID: 29807433 Free PMC article.

7

Many-body effect determines the selectivity for Ca²⁺ and Mg²⁺ in proteins.

Jing Z, Liu C, Qi R, Ren P. Jing Z, et al. Among authors: qi r. Proc Natl Acad Sci U S A. 2018 Aug 7;115(32):E7495-E7501. doi: 10.1073/pnas.1805049115. Epub 2018 Jul 23. Proc Natl Acad Sci U S A. 2018. PMID: 30038003 Free PMC article.

8

Molecular Dynamics Study of the Hybridization between RNA and Modified Oligonucleotides.

Jing Z, Qi R, Thibonnier M, Ren P. Jing Z, et al. Among authors: qi r. J Chem Theory Comput. 2019 Nov 12;15(11):6422-6432. doi: 10.1021/acs.jctc.9b00519. Epub 2019 Oct 9. J Chem Theory Comput. 2019. PMID: 31553600 Free PMC article.

9

Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications.

Jing Z, Liu C, Cheng SY, Qi R, Walker BD, Piquemal JP, Ren P. Jing Z, et al. Among authors: qi r. Annu Rev Biophys. 2019 May 6;48:371-394. doi: 10.1146/annurev-biophys-070317-033349. Epub 2019 Mar 27. Annu Rev Biophys. 2019. PMID: 30916997 Free PMC article. Review.

10

Calculating binding free energies of host-guest systems using the AMOEBA polarizable force field.

Bell DR, Qi R, Jing Z, Xiang JY, Mejias C, Schnieders MJ, Ponder JW, Ren P. Bell DR, et al. Among authors: qi r. Phys Chem Chem Phys. 2016 Nov 9;18(44):30261-30269. doi: 10.1039/c6cp02509a. Phys Chem Chem Phys. 2016. PMID: 27254477 Free PMC article.

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