Nathan A. Baker

Publication Activity (10 Years)

Years Active: 2000-2022
Publications (10 Years): 7

Top Topics

Discovery Process

Quantum Computing

Protein Secondary Structure Prediction

Top Venues

J. Comput. Phys.

J. Comput. Chem.

Publications

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)
Arun V. Sathanur, Nathan A. Baker
A clustering-based biased Monte Carlo approach to protein titration curve prediction. ICMLA (2020)
Francesca Grogan, Huan Lei, Xiantao Li, Nathan A. Baker
Data-driven molecular modeling with the generalized Langevin equation. J. Comput. Phys. 418 (2020)
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 (2019)
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) (2017)
Huan Lei, Nathan A. Baker, Xiantao Li
Data-driven parameterization of the generalized Langevin equation. CoRR (2016)
Xiu Yang, Huan Lei, Nathan A. Baker, Guang Lin
Enhancing sparsity of Hermite polynomial expansions by iterative rotations. J. Comput. Phys. 307 (2016)
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) (2015)
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)
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) (2013)
Ferosh Jacob, Jeff Gray, Adam Wynne, Yan Liu, Nathan A. Baker
Domain-specific languages for composing signature discovery workflows. DSM@SPLASH (2012)
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)
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) (2011)
Dennis G. Thomas, Rohit V. Pappu, Nathan A. Baker
NanoParticle Ontology for cancer nanotechnology research. J. Biomed. Informatics 44 (1) (2011)
Zhan Chen, Nathan A. Baker, G. W. Wei
Differential geometry based solvation model I: Eulerian formulation. J. Comput. Phys. 229 (22) (2010)
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) (2007)
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) (2006)
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) (2005)
Jason Wagoner, Nathan A. Baker
Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models. J. Comput. Chem. 25 (13) (2004)
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) (2004)
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) (2004)
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) (2004)
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) (2001)
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) (2001)
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) (2000)
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) (2000)