R01 GM069702/GM/NIGMS NIH HHS/United States[Grant Number] - Search Results

Year	Number of Results
2004	3
2005	1
2006	3
2007	3
2008	3
2009	1
2010	4
2011	6
2012	4
2013	5
2014	1
2015	3
2016	4
2017	3
2018	2
2019	2
2020	2
2021	0

1

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations.

Dolinsky TJ, Nielsen JE, McCammon JA, Baker NA. Dolinsky TJ, et al. Nucleic Acids Res. 2004 Jul 1;32(Web Server issue):W665-7. doi: 10.1093/nar/gkh381. Nucleic Acids Res. 2004. PMID: 15215472 Free PMC article.

2

Data-driven molecular modeling with the generalized Langevin equation.

Grogan F, Lei H, Li X, Baker NA. Grogan F, et al. J Comput Phys. 2020 Oct 1;418:109633. doi: 10.1016/j.jcp.2020.109633. Epub 2020 Jun 3. J Comput Phys. 2020. PMID: 32952214

3

Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS.

Laureanti J, Brandi J, Offor E, Engel D, Rallo R, Ginovska B, Martinez X, Baaden M, Baker NA. Laureanti J, et al. Protein Sci. 2020 Jan;29(1):237-246. doi: 10.1002/pro.3773. Epub 2019 Nov 25. Protein Sci. 2020. PMID: 31710727 Free PMC article.

4

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.

Gunner MR, Baker NA. Gunner MR, et al. Methods Enzymol. 2016;578:1-20. doi: 10.1016/bs.mie.2016.05.052. Epub 2016 Jun 20. Methods Enzymol. 2016. PMID: 27497160 Free PMC article. Review.

5

Biomolecular electrostatics and solvation: a computational perspective.

Ren P, Chun J, Thomas DG, Schnieders MJ, Marucho M, Zhang J, Baker NA. Ren P, et al. Q Rev Biophys. 2012 Nov;45(4):427-91. doi: 10.1017/S003358351200011X. Q Rev Biophys. 2012. PMID: 23217364 Free PMC article. Review.

6

Progress in the prediction of pKa values in proteins.

Alexov E, Mehler EL, Baker N, Baptista AM, Huang Y, Milletti F, Nielsen JE, Farrell D, Carstensen T, Olsson MH, Shen JK, Warwicker J, Williams S, Word JM. Alexov E, et al. Proteins. 2011 Dec;79(12):3260-75. doi: 10.1002/prot.23189. Epub 2011 Oct 15. Proteins. 2011. PMID: 22002859 Free PMC article. Review.

7

Improvements to the APBS biomolecular solvation software suite.

Jurrus E, Engel D, Star K, Monson K, Brandi J, Felberg LE, Brookes DH, Wilson L, Chen J, Liles K, Chun M, Li P, Gohara DW, Dolinsky T, Konecny R, Koes DR, Nielsen JE, Head-Gordon T, Geng W, Krasny R, Wei GW, Holst MJ, McCammon JA, Baker NA. Jurrus E, et al. Protein Sci. 2018 Jan;27(1):112-128. doi: 10.1002/pro.3280. Epub 2017 Oct 24. Protein Sci. 2018. PMID: 28836357 Free PMC article.

8

A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness.

Lei H, Li J, Gao P, Stinis P, Baker NA. Lei H, et al. Comput Methods Appl Mech Eng. 2019 Jun 15;350:199-227. doi: 10.1016/j.cma.2019.03.014. Epub 2019 Mar 14. Comput Methods Appl Mech Eng. 2019. PMID: 32038051 Free PMC article.

9

Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies.

Gosink LJ, Overall CC, Reehl SM, Whitney PD, Mobley DL, Baker NA. Gosink LJ, et al. J Phys Chem B. 2017 Apr 20;121(15):3458-3472. doi: 10.1021/acs.jpcb.6b09198. Epub 2017 Jan 4. J Phys Chem B. 2017. PMID: 27966363 Free PMC article.

10

Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum.

Schnieders MJ, Baker NA, Ren P, Ponder JW. Schnieders MJ, et al. J Chem Phys. 2007 Mar 28;126(12):124114. doi: 10.1063/1.2714528. J Chem Phys. 2007. PMID: 17411115 Free PMC article. Review.

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

Search Page

Search Results