Henchman RH - Search Results

1

Model for Counterion Binding and Charge Reversal on Protein Surfaces.

Kalayan J, Henchman RH, Warwicker J. Kalayan J, et al. Among authors: henchman rh. Mol Pharm. 2020 Feb 3;17(2):595-603. doi: 10.1021/acs.molpharmaceut.9b01047. Epub 2020 Jan 9. Mol Pharm. 2020. PMID: 31887056 Free article.

2

How Do Electrostatic Perturbations of the Protein Affect the Bifurcation Pathways of Substrate Hydroxylation versus Desaturation in the Nonheme Iron-Dependent Viomycin Biosynthesis Enzyme?

Ali HS, Henchman RH, Warwicker J, de Visser SP. Ali HS, et al. Among authors: henchman rh. J Phys Chem A. 2021 Mar 4;125(8):1720-1737. doi: 10.1021/acs.jpca.1c00141. Epub 2021 Feb 23. J Phys Chem A. 2021. PMID: 33620220

3

Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge.

Ali HS, Chakravorty A, Kalayan J, de Visser SP, Henchman RH. Ali HS, et al. Among authors: henchman rh. J Comput Aided Mol Des. 2021 Aug;35(8):911-921. doi: 10.1007/s10822-021-00406-5. Epub 2021 Jul 15. J Comput Aided Mol Des. 2021. PMID: 34264476 Free PMC article.

4

Thermodynamic Origin of Differential Excipient-Lysozyme Interactions.

Kalayan J, Curtis RA, Warwicker J, Henchman RH. Kalayan J, et al. Among authors: henchman rh. Front Mol Biosci. 2021 Jun 11;8:689400. doi: 10.3389/fmolb.2021.689400. eCollection 2021. Front Mol Biosci. 2021. PMID: 34179093 Free PMC article.

5

The Attraction of Water for Itself at Hydrophobic Quartz Interfaces.

Besford QA, Christofferson AJ, Kalayan J, Sommer JU, Henchman RH. Besford QA, et al. Among authors: henchman rh. J Phys Chem B. 2020 Jul 23;124(29):6369-6375. doi: 10.1021/acs.jpcb.0c04545. Epub 2020 Jul 10. J Phys Chem B. 2020. PMID: 32589426

6

Convergence behaviour of solvation shells in simulated liquids.

Kalayan J, Henchman RH. Kalayan J, et al. Among authors: henchman rh. Phys Chem Chem Phys. 2021 Mar 4;23(8):4892-4900. doi: 10.1039/d0cp05903j. Phys Chem Chem Phys. 2021. PMID: 33616583

7

Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisosters.

Falcioni F, Kalayan J, Henchman RH. Falcioni F, et al. Among authors: henchman rh. J Comput Aided Mol Des. 2021 Jul;35(7):831-840. doi: 10.1007/s10822-021-00401-w. Epub 2021 Jul 10. J Comput Aided Mol Des. 2021. PMID: 34244906 Free PMC article.

8

Total free energy analysis of fully hydrated proteins.

Kalayan J, Chakravorty A, Warwicker J, Henchman RH. Kalayan J, et al. Among authors: henchman rh. Proteins. 2023 Jan;91(1):74-90. doi: 10.1002/prot.26411. Epub 2022 Aug 25. Proteins. 2023. PMID: 35964252 Free PMC article.

9

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

10

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.

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