Nathan A. Baker

According to our database1, Nathan A. Baker authored at least 24 papers between 2000 and 2020.

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Bibliography

2020
Data-driven molecular modeling with the generalized Langevin equation.
J. Comput. Phys., 2020

A clustering-based biased Monte Carlo approach to protein titration curve prediction.
Proceedings of the 19th IEEE International Conference on Machine Learning and Applications, 2020

2019
Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers.
CoRR, 2019

2017
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver.
J. Comput. Chem., 2017

2016
Enhancing sparsity of Hermite polynomial expansions by iterative rotations.
J. Comput. Phys., 2016

Data-driven parameterization of the generalized Langevin equation.
CoRR, 2016

2015
Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the Influence of Conformational Uncertainty in Biomolecular Solvation.
Multiscale Model. Simul., 2015

2013
Parameterization of a geometric flow implicit solvation model.
J. Comput. Chem., 2013

Research towards a systematic signature discovery process.
Proceedings of the 2013 IEEE International Conference on Intelligence and Security Informatics, 2013

2012
Annotating the structure and components of a nanoparticle formulation using computable string expressions.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

2011
Web servers and services for electrostatics calculations with APBS and PDB2PQR.
J. Comput. Chem., 2011

NanoParticle Ontology for cancer nanotechnology research.
J. Biomed. Informatics, 2011

2010
Differential geometry based solvation model I: Eulerian formulation.
J. Comput. Phys., 2010

2007
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations.
Nucleic Acids Res., 2007

2006
Application of New Multiresolution Methods for the Comparison of Biomolecular Electrostatic Properties in the Absence of Global Structural Similarity.
Multiscale Model. Simul., 2006

2005
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., 2005

2004
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations.
Nucleic Acids Res., 2004

Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models.
J. Comput. Chem., 2004

SPrCY: comparison of structural predictions in the Saccharomyces cerevisiae genome.
Bioinform., 2004

Poisson-Boltzmann Methods for Biomolecular Electrostatics.
Proceedings of the Numerical Computer Methods, Part D, 2004

2001
ErratumAdaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples.
J. Comput. Chem., 2001

The adaptive multilevel finite element solution of the Poisson-Boltzmann equation on massively parallel computers.
IBM J. Res. Dev., 2001

2000
Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems.
J. Comput. Chem., 2000

Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples.
J. Comput. Chem., 2000


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