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	3
2021	0

1

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 Free PMC article.

2

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.

3

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.

4

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.

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

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.

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

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.

9

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory.

Purvine E, Monson K, Jurrus E, Star K, Baker NA. Purvine E, et al. J Phys Chem B. 2016 Aug 25;120(33):8354-60. doi: 10.1021/acs.jpcb.6b02059. Epub 2016 May 3. J Phys Chem B. 2016. PMID: 27089174 Free PMC article.

10

PB-AM: An open-source, fully analytical linear poisson-boltzmann solver.

Felberg LE, Brookes DH, Yap EH, Jurrus E, Baker NA, Head-Gordon T. Felberg LE, et al. J Comput Chem. 2017 Jun 5;38(15):1275-1282. doi: 10.1002/jcc.24528. Epub 2016 Nov 2. J Comput Chem. 2017. PMID: 27804145 Free PMC article.

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