Henchman RH - Search Results

1

Entropy of Proteins Using Multiscale Cell Correlation.

Chakravorty A, Higham J, Henchman RH. Chakravorty A, et al. Among authors: henchman rh. J Chem Inf Model. 2020 Nov 23;60(11):5540-5551. doi: 10.1021/acs.jcim.0c00611. Epub 2020 Sep 29. J Chem Inf Model. 2020. PMID: 32955869

2

Entropic cost of protein-ligand binding and its dependence on the entropy in solution.

Irudayam SJ, Henchman RH. Irudayam SJ, et al. Among authors: henchman rh. J Phys Chem B. 2009 Apr 30;113(17):5871-84. doi: 10.1021/jp809968p. J Phys Chem B. 2009. PMID: 19351118

3

Inhibitors of PIM-1 kinase: a computational analysis of the binding free energies of a range of imidazo [1,2-b] pyridazines.

Doudou S, Sharma R, Henchman RH, Sheppard DW, Burton NA. Doudou S, et al. Among authors: henchman rh. J Chem Inf Model. 2010 Mar 22;50(3):368-79. doi: 10.1021/ci9003514. J Chem Inf Model. 2010. PMID: 20175582

4

Solvation theory to provide a molecular interpretation of the hydrophobic entropy loss of noble-gas hydration.

Irudayam SJ, Henchman RH. Irudayam SJ, et al. Among authors: henchman rh. J Phys Condens Matter. 2010 Jul 21;22(28):284108. doi: 10.1088/0953-8984/22/28/284108. Epub 2010 Jun 21. J Phys Condens Matter. 2010. PMID: 21399280

5

Instantaneous, parameter-free methods to define a solute's hydration shell.

Chatterjee A, Higham J, Henchman RH. Chatterjee A, et al. Among authors: henchman rh. J Chem Phys. 2015 Dec 21;143(23):234501. doi: 10.1063/1.4937376. J Chem Phys. 2015. PMID: 26696060

6

Parameter-Free Hydrogen-Bond Definition to Classify Protein Secondary Structure.

Haghighi H, Higham J, Henchman RH. Haghighi H, et al. Among authors: henchman rh. J Phys Chem B. 2016 Aug 25;120(33):8566-70. doi: 10.1021/acs.jpcb.6b02571. Epub 2016 Apr 25. J Phys Chem B. 2016. PMID: 27067825 Free article.

7

Locally adaptive method to define coordination shell.

Higham J, Henchman RH. Higham J, et al. Among authors: henchman rh. J Chem Phys. 2016 Aug 28;145(8):084108. doi: 10.1063/1.4961439. J Chem Phys. 2016. PMID: 27586905

8

Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory.

Gerogiokas G, Southey MW, Mazanetz MP, Heifetz A, Bodkin M, Law RJ, Henchman RH, Michel J. Gerogiokas G, et al. Among authors: henchman rh. J Phys Chem B. 2016 Oct 13;120(40):10442-10452. doi: 10.1021/acs.jpcb.6b07993. Epub 2016 Sep 29. J Phys Chem B. 2016. PMID: 27645529

9

Overcoming the limitations of cutoffs for defining atomic coordination in multicomponent systems.

Higham J, Henchman RH. Higham J, et al. Among authors: henchman rh. J Comput Chem. 2018 May 5;39(12):705-710. doi: 10.1002/jcc.25137. Epub 2017 Dec 15. J Comput Chem. 2018. PMID: 29243263

10

Comparison of Free-Energy Methods to Calculate the Barriers for the Nucleophilic Substitution of Alkyl Halides by Hydroxide.

Ali HS, Higham J, de Visser SP, Henchman RH. Ali HS, et al. Among authors: henchman rh. J Phys Chem B. 2020 Aug 6;124(31):6835-6842. doi: 10.1021/acs.jpcb.0c02264. Epub 2020 Jul 27. J Phys Chem B. 2020. PMID: 32648760

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