Shen H - Search Results

1

An anisotropic coarse-grained model based on Gay-Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent model.

Shen H, Li Y, Xu P, Li X, Chu H, Zhang D, Li G. Shen H, et al. J Comput Chem. 2015 Jun 5;36(15):1103-13. doi: 10.1002/jcc.23895. Epub 2015 Mar 18. J Comput Chem. 2015. PMID: 25788250

2

Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials.

Xu P, Shen H, Yang L, Ding Y, Li B, Shao Y, Mao Y, Li G. Xu P, et al. Among authors: shen h. J Mol Model. 2013 Feb;19(2):551-8. doi: 10.1007/s00894-012-1562-5. Epub 2012 Sep 9. J Mol Model. 2013. PMID: 22961621

3

An Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials.

Shen H, Li Y, Ren P, Zhang D, Li G. Shen H, et al. J Chem Theory Comput. 2014 Feb 10;10(2):731-750. doi: 10.1021/ct400974z. J Chem Theory Comput. 2014. PMID: 24659927 Free PMC article.

4

Coarse-Grained Modeling of Nucleic Acids Using Anisotropic Gay-Berne and Electric Multipole Potentials.

Li G, Shen H, Zhang D, Li Y, Wang H. Li G, et al. Among authors: shen h. J Chem Theory Comput. 2016 Feb 9;12(2):676-93. doi: 10.1021/acs.jctc.5b00903. Epub 2016 Jan 15. J Chem Theory Comput. 2016. PMID: 26717419

5

Fast and accurate computation schemes for evaluating vibrational entropy of proteins.

Xu B, Shen H, Zhu X, Li G. Xu B, et al. Among authors: shen h. J Comput Chem. 2011 Nov 30;32(15):3188-93. doi: 10.1002/jcc.21900. Epub 2011 Aug 27. J Comput Chem. 2011. PMID: 21953554

6

Exploring the proton conductance and drug resistance of BM2 channel through molecular dynamics simulations and free energy calculations at different pH conditions.

Zhang Y, Shen H, Zhang M, Li G. Zhang Y, et al. Among authors: shen h. J Phys Chem B. 2013 Jan 31;117(4):982-8. doi: 10.1021/jp309682t. Epub 2013 Jan 15. J Phys Chem B. 2013. PMID: 23286443

7

What is the role of motif D in the nucleotide incorporation catalyzed by the RNA-dependent RNA polymerase from poliovirus?

Shen H, Sun H, Li G. Shen H, et al. PLoS Comput Biol. 2012;8(12):e1002851. doi: 10.1371/journal.pcbi.1002851. Epub 2012 Dec 27. PLoS Comput Biol. 2012. PMID: 23300428 Free PMC article.

8

Theoretical elucidation of the origin for assembly of the DAP12 dimer with only one NKG2C in the lipid membrane.

Sun H, Chu H, Fu T, Shen H, Li G. Sun H, et al. Among authors: shen h. J Phys Chem B. 2013 May 2;117(17):4789-97. doi: 10.1021/jp312375g. Epub 2013 Apr 16. J Phys Chem B. 2013. PMID: 23560746

9

Molecular recognition of human angiotensin-coverting enzyme I (hACE I) and different inhibitors.

Chu H, Min H, Zhang M, Shen H, Li G. Chu H, et al. Among authors: shen h. Curr Top Med Chem. 2013;13(10):1211-21. doi: 10.2174/15680266113139990008. Curr Top Med Chem. 2013. PMID: 23647543 Review.

10

Investigation binding patterns of human carboxylesterase I (hCES I) with broad substrates by MD simulations.

Chu H, Min H, Zhang M, Shen H, Li G. Chu H, et al. Among authors: shen h. Curr Top Med Chem. 2013;13(10):1222-33. doi: 10.2174/15680266113139990009. Curr Top Med Chem. 2013. PMID: 23647544 Review.

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