Gould IR - Search Results

1

Dickson CJ, Madej BD, Skjevik AA, Betz RM, Teigen K, Gould IR, Walker RC. Dickson CJ, et al. Among authors: gould ir. J Chem Theory Comput. 2014 Feb 11;10(2):865-879. doi: 10.1021/ct4010307. Epub 2014 Jan 30. J Chem Theory Comput. 2014. PMID: 24803855 Free PMC article.

2

All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields.

Skjevik ÅA, Madej BD, Dickson CJ, Teigen K, Walker RC, Gould IR. Skjevik ÅA, et al. Among authors: gould ir. Chem Commun (Camb). 2015 Mar 14;51(21):4402-5. doi: 10.1039/c4cc09584g. Chem Commun (Camb). 2015. PMID: 25679020 Free PMC article.

3

A Parameterization of Cholesterol for Mixed Lipid Bilayer Simulation within the Amber Lipid14 Force Field.

Madej BD, Gould IR, Walker RC. Madej BD, et al. Among authors: gould ir. J Phys Chem B. 2015 Sep 24;119(38):12424-35. doi: 10.1021/acs.jpcb.5b04924. Epub 2015 Sep 11. J Phys Chem B. 2015. PMID: 26359797 Free PMC article.

4

Simulation of lipid bilayer self-assembly using all-atom lipid force fields.

Skjevik ÅA, Madej BD, Dickson CJ, Lin C, Teigen K, Walker RC, Gould IR. Skjevik ÅA, et al. Among authors: gould ir. Phys Chem Chem Phys. 2016 Apr 21;18(15):10573-84. doi: 10.1039/c5cp07379k. Epub 2016 Apr 1. Phys Chem Chem Phys. 2016. PMID: 27034995 Free PMC article.

5

Lipid21: Complex Lipid Membrane Simulations with AMBER.

Dickson CJ, Walker RC, Gould IR. Dickson CJ, et al. Among authors: gould ir. J Chem Theory Comput. 2022 Mar 8;18(3):1726-1736. doi: 10.1021/acs.jctc.1c01217. Epub 2022 Feb 3. J Chem Theory Comput. 2022. PMID: 35113553 Free PMC article.

6

Further evaluation of quantum chemical methods for the prediction of non-specific binding of positron emission tomography tracers.

Dickson CJ, Gee AD, Bennacef I, Gould IR, Rosso L. Dickson CJ, et al. Among authors: gould ir. Phys Chem Chem Phys. 2011 Dec 28;13(48):21552-7. doi: 10.1039/c1cp22739d. Epub 2011 Nov 4. Phys Chem Chem Phys. 2011. PMID: 22052158

7

Imaging phase separation in model lipid membranes through the use of BODIPY based molecular rotors.

Dent MR, López-Duarte I, Dickson CJ, Geoghegan ND, Cooper JM, Gould IR, Krams R, Bull JA, Brooks NJ, Kuimova MK. Dent MR, et al. Among authors: gould ir. Phys Chem Chem Phys. 2015 Jul 28;17(28):18393-402. doi: 10.1039/c5cp01937k. Phys Chem Chem Phys. 2015. PMID: 26104504 Free article.

8

Assessment of standard force field models against high-quality ab initio potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions.

Sherrill CD, Sumpter BG, Sinnokrot MO, Marshall MS, Hohenstein EG, Walker RC, Gould IR. Sherrill CD, et al. Among authors: gould ir. J Comput Chem. 2009 Nov 15;30(14):2187-93. doi: 10.1002/jcc.21226. J Comput Chem. 2009. PMID: 19242959

9

Imaging plasma membrane phase behaviour in live cells using a thiophene-based molecular rotor.

Dent MR, López-Duarte I, Dickson CJ, Chairatana P, Anderson HL, Gould IR, Wylie D, Vyšniauskas A, Brooks NJ, Kuimova MK. Dent MR, et al. Among authors: gould ir. Chem Commun (Camb). 2016 Nov 3;52(90):13269-13272. doi: 10.1039/c6cc05954f. Chem Commun (Camb). 2016. PMID: 27775102 Free article.

10

Effect of adiabaticity on electron dynamics in zinc myoglobin.

Cho BM, Walker RC, Amer H, Mercer I, Klug DR, Gould IR. Cho BM, et al. Among authors: gould ir. J Phys Chem B. 2005 Mar 31;109(12):5954-61. doi: 10.1021/jp0470748. J Phys Chem B. 2005. PMID: 16851650

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