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Nathan A. Baker
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2020 – today
- 2022
- [c5]Samuel Alexander Stein, Nathan Wiebe, Yufei Ding, Bo Peng, Karol Kowalski, Nathan A. Baker, James Ang, Ang Li:
EQC: ensembled quantum computing for variational quantum algorithms. ISCA 2022: 59-71 - 2020
- [j19]Francesca Grogan, Huan Lei, Xiantao Li, Nathan A. Baker
:
Data-driven molecular modeling with the generalized Langevin equation. J. Comput. Phys. 418: 109633 (2020) - [c4]Arun V. Sathanur, Nathan A. Baker:
A clustering-based biased Monte Carlo approach to protein titration curve prediction. ICMLA 2020: 179-184
2010 – 2019
- 2019
- [i2]Guang Hao Low, Nicholas P. Bauman, Christopher E. Granade, Bo Peng, Nathan Wiebe, Eric J. Bylaska, Dave Wecker, Sriram Krishnamoorthy, Martin Roetteler, Karol Kowalski, Matthias Troyer, Nathan A. Baker:
Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers. CoRR abs/1904.01131 (2019) - 2017
- [j18]Lisa E. Felberg, David H. Brookes, Eng-Hui Yap, Elizabeth Jurrus, Nathan A. Baker
, Teresa Head-Gordon:
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver. J. Comput. Chem. 38(15): 1275-1282 (2017) - 2016
- [j17]Xiu Yang, Huan Lei, Nathan A. Baker
, Guang Lin
:
Enhancing sparsity of Hermite polynomial expansions by iterative rotations. J. Comput. Phys. 307: 94-109 (2016) - [i1]Huan Lei, Nathan A. Baker, Xiantao Li:
Data-driven parameterization of the generalized Langevin equation. CoRR abs/1606.02596 (2016) - 2015
- [j16]Huan Lei, Xiu Yang, Bin Zheng, Guang Lin, Nathan A. Baker
:
Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the Influence of Conformational Uncertainty in Biomolecular Solvation. Multiscale Model. Simul. 13(4): 1327-1353 (2015) - 2013
- [j15]Dennis G. Thomas, Jaehun Chun, Zhan Chen, Guowei Wei, Nathan A. Baker
:
Parameterization of a geometric flow implicit solvation model. J. Comput. Chem. 34(8): 687-695 (2013) - [c3]Nathan A. Baker
, Jonathan L. Barr, George T. Bonheyo
, Cliff A. Joslyn
, Kannan Krishnaswami, Mark E. Oxley, Rich Quadrel, Landon H. Sego, Mark F. Tardiff, Adam S. Wynne:
Research towards a systematic signature discovery process. ISI 2013: 301-308 - 2012
- [c2]Dennis G. Thomas, Satish Chikkagoudar
, Alan R. Chappell
, Nathan A. Baker
:
Annotating the structure and components of a nanoparticle formulation using computable string expressions. BIBM Workshops 2012: 889-894 - [c1]Ferosh Jacob, Jeff Gray, Adam Wynne, Yan Liu, Nathan A. Baker
:
Domain-specific languages for composing signature discovery workflows. DSM@SPLASH 2012: 61-64 - 2011
- [j14]Dennis G. Thomas, Rohit V. Pappu, Nathan A. Baker
:
NanoParticle Ontology for cancer nanotechnology research. J. Biomed. Informatics 44(1): 59-74 (2011) - [j13]Samir Unni, Yong Huang, Robert M. Hanson, Malcolm Tobias, Sriram Krishnan, Wilfred W. Li, Jens E. Nielsen, Nathan A. Baker
:
Web servers and services for electrostatics calculations with APBS and PDB2PQR. J. Comput. Chem. 32(7): 1488-1491 (2011) - 2010
- [j12]Zhan Chen, Nathan A. Baker
, G. W. Wei:
Differential geometry based solvation model I: Eulerian formulation. J. Comput. Phys. 229(22): 8231-8258 (2010)
2000 – 2009
- 2007
- [j11]Todd J. Dolinsky, Paul Czodrowski
, Hui Li, Jens E. Nielsen, Jan H. Jensen
, Gerhard Klebe, Nathan A. Baker
:
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Res. 35(Web-Server-Issue): 522-525 (2007) - 2006
- [j10]Xiaoyu Zhang, Chandrajit L. Bajaj, Bong June Kwon, Todd J. Dolinsky, Jens E. Nielsen, Nathan A. Baker
:
Application of New Multiresolution Methods for the Comparison of Biomolecular Electrostatic Properties in the Absence of Global Structural Similarity. Multiscale Model. Simul. 5(4): 1196-1213 (2006) - 2005
- [j9]Jason Wagoner, Nathan A. Baker:
Erratum to "Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models, " by Jason Wagoner and Nathan A. Baker. J. Comput. Chem. 26(8): 863- (2005) - 2004
- [j8]Todd J. Dolinsky, P. M. J. Burgers, Kevin Karplus, Nathan A. Baker
:
SPrCY: comparison of structural predictions in the Saccharomyces cerevisiae genome. Bioinform. 20(14): 2312-2314 (2004) - [j7]Jason Wagoner, Nathan A. Baker
:
Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models. J. Comput. Chem. 25(13): 1623-1629 (2004) - [j6]Jason Wagoner, Nathan A. Baker:
Jason Wagoner and Nathan A. Baker, "Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models, "Journal of Computational Chemistry(2004) 25(13) 1623-1629. J. Comput. Chem. 25(14): 1801 (2004) - [j5]Todd J. Dolinsky, Jens E. Nielsen, James Andrew McCammon, Nathan A. Baker
:
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Res. 32(Web-Server-Issue): 665-667 (2004) - [p1]Nathan A. Baker
:
Poisson-Boltzmann Methods for Biomolecular Electrostatics. Numerical Computer Methods, Part D 2004: 94-118 - 2001
- [j4]Nathan A. Baker, David Sept, Michael J. Holst, James Andrew McCammon:
The adaptive multilevel finite element solution of the Poisson-Boltzmann equation on massively parallel computers. IBM J. Res. Dev. 45(3): 427-438 (2001) - [j3]Michael J. Holst, Nathan A. Baker, Feng Wang:
ErratumAdaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples. J. Comput. Chem. 22(4): 475 (2001) - 2000
- [j2]Michael J. Holst, Nathan A. Baker, Feng Wang:
Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples. J. Comput. Chem. 21(15): 1319-1342 (2000) - [j1]Michael J. Holst, Nathan A. Baker, Feng Wang:
Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems. J. Comput. Chem. 21(15): 1343-1352 (2000)
Coauthor Index

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