Walker RC - Search Results

1

Improving the Efficiency of Free Energy Calculations in the Amber Molecular Dynamics Package.

Kaus JW, Pierce LT, Walker RC, McCammont JA. Kaus JW, et al. Among authors: walker rc. J Chem Theory Comput. 2013 Sep 10;9(9):10.1021/ct400340s. doi: 10.1021/ct400340s. J Chem Theory Comput. 2013. PMID: 24185531 Free PMC article.

2

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation.

Miao Y, Sinko W, Pierce L, Bucher D, Walker RC, McCammon JA. Miao Y, et al. Among authors: walker rc. J Chem Theory Comput. 2014 Jul 8;10(7):2677-2689. doi: 10.1021/ct500090q. Epub 2014 May 1. J Chem Theory Comput. 2014. PMID: 25061441 Free PMC article.

3

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald.

Salomon-Ferrer R, Götz AW, Poole D, Le Grand S, Walker RC. Salomon-Ferrer R, et al. Among authors: walker rc. J Chem Theory Comput. 2013 Sep 10;9(9):3878-88. doi: 10.1021/ct400314y. Epub 2013 Aug 20. J Chem Theory Comput. 2013. PMID: 26592383

4

Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics.

Pierce LC, Salomon-Ferrer R, Augusto F de Oliveira C, McCammon JA, Walker RC. Pierce LC, et al. Among authors: walker rc. J Chem Theory Comput. 2012 Sep 11;8(9):2997-3002. doi: 10.1021/ct300284c. Epub 2012 Jul 27. J Chem Theory Comput. 2012. PMID: 22984356 Free PMC article.

5

Lipid14: The Amber Lipid Force Field.

Dickson CJ, Madej BD, Skjevik AA, Betz RM, Teigen K, Gould IR, Walker RC. Dickson CJ, et al. Among authors: walker rc. 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.

6

Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems.

Park K, Götz AW, Walker RC, Paesani F. Park K, et al. Among authors: walker rc. J Chem Theory Comput. 2012 Aug 14;8(8):2868-77. doi: 10.1021/ct300331f. Epub 2012 Jul 11. J Chem Theory Comput. 2012. PMID: 26592126

7

fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems.

Mendieta-Moreno JI, Walker RC, Lewis JP, Gómez-Puertas P, Mendieta J, Ortega J. Mendieta-Moreno JI, et al. Among authors: walker rc. J Chem Theory Comput. 2014 May 13;10(5):2185-93. doi: 10.1021/ct500033w. J Chem Theory Comput. 2014. PMID: 26580543

8

Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning.

Hopkins CW, Le Grand S, Walker RC, Roitberg AE. Hopkins CW, et al. Among authors: walker rc. J Chem Theory Comput. 2015 Apr 14;11(4):1864-74. doi: 10.1021/ct5010406. Epub 2015 Mar 30. J Chem Theory Comput. 2015. PMID: 26574392

9

Simulating Water Exchange to Buried Binding Sites.

Ben-Shalom IY, Lin C, Kurtzman T, Walker RC, Gilson MK. Ben-Shalom IY, et al. Among authors: walker rc. J Chem Theory Comput. 2019 Apr 9;15(4):2684-2691. doi: 10.1021/acs.jctc.8b01284. Epub 2019 Mar 13. J Chem Theory Comput. 2019. PMID: 30835999 Free PMC article.

10

Lipid21: Complex Lipid Membrane Simulations with AMBER.

Dickson CJ, Walker RC, Gould IR. Dickson CJ, et al. Among authors: walker rc. 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.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

269 results

Search Page

Filters