R01 GM103695/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

Year	Number of Results
2013	2
2014	2
2015	2
2016	4
2017	4
2018	3
2019	2
2020	3
2021	5
2024	0

1

Whole-Cell Models and Simulations in Molecular Detail.

Feig M, Sugita Y. Feig M, et al. Annu Rev Cell Dev Biol. 2019 Oct 6;35:191-211. doi: 10.1146/annurev-cellbio-100617-062542. Epub 2019 Jul 12. Annu Rev Cell Dev Biol. 2019. PMID: 31299173 Free PMC article. Review.

2

Exploring pH Dependent Host/Guest Binding Affinities.

Paul TJ, Vilseck JZ, Hayes RL, Brooks CL 3rd. Paul TJ, et al. J Phys Chem B. 2020 Jul 30;124(30):6520-6528. doi: 10.1021/acs.jpcb.0c03671. Epub 2020 Jul 22. J Phys Chem B. 2020. PMID: 32628482 Free PMC article.

3

Norstictic Acid Is a Selective Allosteric Transcriptional Regulator.

Garlick JM, Sturlis SM, Bruno PA, Yates JA, Peiffer AL, Liu Y, Goo L, Bao L, De Salle SN, Tamayo-Castillo G, Brooks CL 3rd, Merajver SD, Mapp AK. Garlick JM, et al. J Am Chem Soc. 2021 Jun 30;143(25):9297-9302. doi: 10.1021/jacs.1c03258. Epub 2021 Jun 17. J Am Chem Soc. 2021. PMID: 34137598 Free PMC article.

4

A strategy for proline and glycine mutations to proteins with alchemical free energy calculations.

Hayes RL, Brooks CL 3rd. Hayes RL, et al. J Comput Chem. 2021 Jun 5;42(15):1088-1094. doi: 10.1002/jcc.26525. Epub 2021 Apr 12. J Comput Chem. 2021. PMID: 33844328 Free PMC article.

5

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations.

Feig M, Yu I, Wang PH, Nawrocki G, Sugita Y. Feig M, et al. J Phys Chem B. 2017 Aug 31;121(34):8009-8025. doi: 10.1021/acs.jpcb.7b03570. Epub 2017 Jul 12. J Phys Chem B. 2017. PMID: 28666087 Free PMC article.

6

Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy.

Wu Y, Brooks CL 3rd. Wu Y, et al. J Chem Inf Model. 2021 Nov 22;61(11):5535-5549. doi: 10.1021/acs.jcim.1c01078. Epub 2021 Oct 27. J Chem Inf Model. 2021. PMID: 34704754 Free PMC article.

7

CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.

Kim S, Lee J, Jo S, Brooks CL 3rd, Lee HS, Im W. Kim S, et al. J Comput Chem. 2017 Jun 5;38(21):1879-1886. doi: 10.1002/jcc.24829. Epub 2017 May 11. J Comput Chem. 2017. PMID: 28497616 Free PMC article.

8

Generalizing the Discrete Gibbs Sampler-Based λ-Dynamics Approach for Multisite Sampling of Many Ligands.

Vilseck JZ, Ding X, Hayes RL, Brooks CL 3rd. Vilseck JZ, et al. J Chem Theory Comput. 2021 Jul 13;17(7):3895-3907. doi: 10.1021/acs.jctc.1c00176. Epub 2021 Jun 8. J Chem Theory Comput. 2021. PMID: 34101448 Free PMC article.

9

New faster CHARMM molecular dynamics engine.

Hynninen AP, Crowley MF. Hynninen AP, et al. J Comput Chem. 2014 Feb 15;35(5):406-13. doi: 10.1002/jcc.23501. Epub 2013 Dec 2. J Comput Chem. 2014. PMID: 24302199 Free PMC article.

10

Automated, Accurate, and Scalable Relative Protein-Ligand Binding Free-Energy Calculations Using Lambda Dynamics.

Raman EP, Paul TJ, Hayes RL, Brooks CL 3rd. Raman EP, et al. J Chem Theory Comput. 2020 Dec 8;16(12):7895-7914. doi: 10.1021/acs.jctc.0c00830. Epub 2020 Nov 17. J Chem Theory Comput. 2020. PMID: 33201701 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 NCBI Filters

Results by year

Text availability

Article attribute

Article type

Publication date

24 results

Results by year

Search Page

Filters

My NCBI Filters

Results by year

Text availability

Article attribute

Article type

Publication date

Search Results

24 results

Results by year