Che J - Search Results

1

Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules.

Cheng LT, Xie Y, Dzubiella J, McCammon JA, Che J, Li B. Cheng LT, et al. Among authors: che j. J Chem Theory Comput. 2009 Feb 10;5(2):257-266. doi: 10.1021/ct800297d. J Chem Theory Comput. 2009. PMID: 20150952 Free PMC article.

2

Electrostatic free energy and its variations in implicit solvent models.

Che J, Dzubiella J, Li B, McCammon JA. Che J, et al. J Phys Chem B. 2008 Mar 13;112(10):3058-69. doi: 10.1021/jp7101012. Epub 2008 Feb 15. J Phys Chem B. 2008. PMID: 18275182

3

Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation.

Wang Z, Che J, Cheng LT, Dzubiella J, Li B, McCammon JA. Wang Z, et al. Among authors: che j. J Chem Theory Comput. 2012 Feb 14;8(2):386-397. doi: 10.1021/ct200647j. Epub 2011 Dec 19. J Chem Theory Comput. 2012. PMID: 22346739 Free PMC article.

4

Evaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation.

Guo Z, Li B, Dzubiella J, Cheng LT, McCammon JA, Che J. Guo Z, et al. Among authors: che j. J Chem Theory Comput. 2013 Mar 12;9(3):1778-1787. doi: 10.1021/ct301087w. Epub 2013 Jan 29. J Chem Theory Comput. 2013. PMID: 23505345 Free PMC article.

5

Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation.

Zhao Y, Kwan YY, Che J, Li B, McCammon JA. Zhao Y, et al. Among authors: che j. J Chem Phys. 2013 Jul 14;139(2):024111. doi: 10.1063/1.4812839. J Chem Phys. 2013. PMID: 23862933 Free PMC article.

6

Heterogeneous Hydration of p53/MDM2 Complex.

Guo Z, Li B, Dzubiella J, Cheng LT, McCammon JA, Che J. Guo Z, et al. Among authors: che j. J Chem Theory Comput. 2014 Mar 11;10(3):1302-1313. doi: 10.1021/ct400967m. Epub 2014 Jan 31. J Chem Theory Comput. 2014. PMID: 24803860 Free PMC article.

7

LS-VISM: A software package for analysis of biomolecular solvation.

Zhou S, Cheng LT, Sun H, Che J, Dzubiella J, Li B, McCammon JA. Zhou S, et al. Among authors: che j. J Comput Chem. 2015 May 30;36(14):1047-59. doi: 10.1002/jcc.23890. Epub 2015 Mar 12. J Comput Chem. 2015. PMID: 25766844 Free PMC article.

8

Identification of protein-ligand binding sites by the level-set variational implicit-solvent approach.

Guo Z, Li B, Cheng LT, Zhou S, McCammon JA, Che J. Guo Z, et al. Among authors: che j. J Chem Theory Comput. 2015 Feb 10;11(2):753-65. doi: 10.1021/ct500867u. J Chem Theory Comput. 2015. PMID: 25941465 Free PMC article.

9

A Simple Method for Improving Torsion Optimization of Ligand Molecules in Receptor Binding Sites.

Che J. Che J. J Chem Theory Comput. 2005 Jul;1(4):634-42. doi: 10.1021/ct0499433. J Chem Theory Comput. 2005. PMID: 26641685

10

Target the More Druggable Protein States in a Highly Dynamic Protein--Protein Interaction System.

Guo Z, Thorarensen A, Che J, Xing L. Guo Z, et al. Among authors: che j. J Chem Inf Model. 2016 Jan 25;56(1):35-45. doi: 10.1021/acs.jcim.5b00503. Epub 2015 Dec 23. J Chem Inf Model. 2016. PMID: 26650754

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