Ren P - Search Results

1

The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.

Shi Y, Xia Z, Zhang J, Best R, Wu C, Ponder JW, Ren P. Shi Y, et al. Among authors: ren p. J Chem Theory Comput. 2013;9(9):4046-4063. doi: 10.1021/ct4003702. J Chem Theory Comput. 2013. PMID: 24163642 Free PMC article.

2

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations.

Ren P, Ponder JW. Ren P, et al. J Comput Chem. 2002 Dec;23(16):1497-506. doi: 10.1002/jcc.10127. J Comput Chem. 2002. PMID: 12395419

3

Ion solvation thermodynamics from simulation with a polarizable force field.

Grossfield A, Ren P, Ponder JW. Grossfield A, et al. Among authors: ren p. J Am Chem Soc. 2003 Dec 17;125(50):15671-82. doi: 10.1021/ja037005r. J Am Chem Soc. 2003. PMID: 14664617

4

Generalized coarse-grained model based on point multipole and Gay-Berne potentials.

Golubkov PA, Ren P. Golubkov PA, et al. Among authors: ren p. J Chem Phys. 2006 Aug 14;125(6):64103. doi: 10.1063/1.2244553. J Chem Phys. 2006. PMID: 16942269

5

Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential.

Jiao D, King C, Grossfield A, Darden TA, Ren P. Jiao D, et al. Among authors: ren p. J Phys Chem B. 2006 Sep 21;110(37):18553-9. doi: 10.1021/jp062230r. J Phys Chem B. 2006. PMID: 16970483

6

Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum.

Schnieders MJ, Baker NA, Ren P, Ponder JW. Schnieders MJ, et al. Among authors: ren p. J Chem Phys. 2007 Mar 28;126(12):124114. doi: 10.1063/1.2714528. J Chem Phys. 2007. PMID: 17411115 Free PMC article. Review.

7

Molecular modeling of conformational properties of oligodepsipeptides.

Zhang J, King M, Suggs L, Ren P. Zhang J, et al. Among authors: ren p. Biomacromolecules. 2007 Oct;8(10):3015-24. doi: 10.1021/bm070244c. Epub 2007 Sep 18. Biomacromolecules. 2007. PMID: 17877396

8

Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.

Jiao D, Zhang J, Duke RE, Li G, Schnieders MJ, Ren P. Jiao D, et al. Among authors: ren p. J Comput Chem. 2009 Aug;30(11):1701-11. doi: 10.1002/jcc.21268. J Comput Chem. 2009. PMID: 19399779 Free PMC article.

9

Trypsin-ligand binding free energy calculation with AMOEBA.

Shi Y, Jiao D, Schnieders MJ, Ren P. Shi Y, et al. Among authors: ren p. Annu Int Conf IEEE Eng Med Biol Soc. 2009;2009:2328-31. doi: 10.1109/IEMBS.2009.5335108. Annu Int Conf IEEE Eng Med Biol Soc. 2009. PMID: 19965178 Free PMC article.

10

Current status of the AMOEBA polarizable force field.

Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA Jr, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Ponder JW, et al. Among authors: ren p. J Phys Chem B. 2010 Mar 4;114(8):2549-64. doi: 10.1021/jp910674d. J Phys Chem B. 2010. PMID: 20136072 Free PMC article.

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