Nathan A. Baker

32 papers A* 1A 1C 2Journal 24Unranked 3

Year	Rank	Type	Title / Venue / Authors
2022	A*	`conf`	EQC: ensembled quantum computing for variational quantum algorithms. ISCA Samuel A. Stein, Nathan Wiebe, Yufei Ding, Bo Peng, Karol Kowalski, Nathan A. Baker, James Ang, Ang Li
2020	C	`conf`	A clustering-based biased Monte Carlo approach to protein titration curve prediction. ICMLA Arun V. Sathanur, Nathan A. Baker
2020	J	`jnl`	Data-driven molecular modeling with the generalized Langevin equation. J. Comput. Phys. Francesca Grogan, Huan Lei, Xiantao Li, Nathan A. Baker
2019	J	`jnl`	Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers. CoRR 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
2018	A	`conf`	How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions? WACV Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan A. Baker
2017	J	`jnl`	Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models. CoRR Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan Oken Hodas, Nathan A. Baker
2017	J	`jnl`	How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions? CoRR Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan A. Baker
2017	J	`jnl`	PB-AM: An open-source, fully analytical linear poisson-boltzmann solver. J. Comput. Chem. Lisa E. Felberg, David H. Brookes, Eng-Hui Yap, Elizabeth Jurrus, Nathan A. Baker, Teresa Head-Gordon
2016	J	`jnl`	Data-driven parameterization of the generalized Langevin equation. CoRR Huan Lei, Nathan A. Baker, Xiantao Li
2016	J	`jnl`	Enhancing sparsity of Hermite polynomial expansions by iterative rotations. J. Comput. Phys. Xiu Yang, Huan Lei, Nathan A. Baker, Guang Lin
2015	J	`jnl`	Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the Influence of Conformational Uncertainty in Biomolecular Solvation. Multiscale Model. Simul. Huan Lei, Xiu Yang, Bin Zheng, Guang Lin, Nathan A. Baker
2013	J	`jnl`	Parameterization of a geometric flow implicit solvation model. J. Comput. Chem. Dennis G. Thomas, Jaehun Chun, Zhan Chen, Guowei Wei, Nathan A. Baker
2013	C	`conf`	Research towards a systematic signature discovery process. ISI 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
2012	—	`conf`	Annotating the structure and components of a nanoparticle formulation using computable string expressions. BIBM Workshops Dennis G. Thomas, Satish Chikkagoudar, Alan R. Chappell, Nathan A. Baker
2012	—	`conf`	Domain-specific languages for composing signature discovery workflows. DSM@SPLASH Ferosh Jacob, Jeff Gray, Adam Wynne, Yan Liu, Nathan A. Baker
2012	J	`jnl`	Nanoinformatics: developing new computing applications for nanomedicine. Computing Victor Maojo, Martin Fritts, Fernando Martín-Sánchez, Diana de la Iglesia, Raul E. Cachau, Miguel García-Remesal, José Crespo, Joyce A. Mitchell, Alberto Anguita, Nathan A. Baker, José María Barreiro, Sonia E. Benitez, Guillermo de la Calle, Julio C. Facelli, Peter Ghazal, Antoine Geissbühler, Fernando D. González Nilo, Norbert M. Graf, Pierre Grangeat, Isabel Hermosilla, Rada Hussein, Josipa Kern, Sabine Koch, Yannick Legré, Victoria López-Alonso, Guillermo López-Campos, Luciano Milanesi, Vassilis Moustakis, Cristian R. Munteanu, Paula Otero, Alejandro Pazos, David Pérez-Rey, George Potamias, Ferran Sanz, Casimir A. Kulikowski
2011	J	`jnl`	NanoParticle Ontology for cancer nanotechnology research. J. Biomed. Informatics Dennis G. Thomas, Rohit V. Pappu, Nathan A. Baker
2011	—	`conf`	Using physicochemical properties of amino acids to induce graphical models of residue couplings. BIOKDD K. S. M. Tozammel Hossain, Chris Bailey-Kellogg, Alan M. Friedman, Michael J. Bradley, Nathan A. Baker, Naren Ramakrishnan
2011	J	`jnl`	Web servers and services for electrostatics calculations with APBS and PDB2PQR. J. Comput. Chem. Samir Unni, Yong Huang, Robert M. Hanson, Malcolm Tobias, Sriram Krishnan, Wilfred W. Li, Jens Erik Nielsen, Nathan A. Baker
2010	J	`jnl`	Differential geometry based solvation model I: Eulerian formulation. J. Comput. Phys. Zhan Chen, Nathan A. Baker, G. W. Wei
2007	J	`jnl`	PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Res. Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens Erik Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker
2006	J	`jnl`	Application of New Multiresolution Methods for the Comparison of Biomolecular Electrostatic Properties in the Absence of Global Structural Similarity. Multiscale Model. Simul. Xiaoyu Zhang, Chandrajit L. Bajaj, Bong June Kwon, Todd J. Dolinsky, Jens Erik Nielsen, Nathan A. Baker
2005	J	`jnl`	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. Jason Wagoner, Nathan A. Baker
2004	J	`jnl`	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. Jason Wagoner, Nathan A. Baker
2004	J	`jnl`	PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Res. Todd J. Dolinsky, Jens Erik Nielsen, James Andrew McCammon, Nathan A. Baker
2004	—	`ch.`	Poisson-Boltzmann Methods for Biomolecular Electrostatics. Numerical Computer Methods, Part D Nathan A. Baker
2004	J	`jnl`	SPrCY: comparison of structural predictions in the Saccharomyces cerevisiae genome. Bioinform. Todd J. Dolinsky, P. M. J. Burgers, Kevin Karplus, Nathan A. Baker
2004	J	`jnl`	Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models. J. Comput. Chem. Jason Wagoner, Nathan A. Baker
2001	J	`jnl`	ErratumAdaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples. J. Comput. Chem. Michael J. Holst, Nathan A. Baker, Feng Wang
2001	J	`jnl`	The adaptive multilevel finite element solution of the Poisson-Boltzmann equation on massively parallel computers. IBM J. Res. Dev. Nathan A. Baker, David Sept, Michael J. Holst, James Andrew McCammon
2000	J	`jnl`	Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples. J. Comput. Chem. Michael J. Holst, Nathan A. Baker, Feng Wang
2000	J	`jnl`	Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems. J. Comput. Chem. Michael J. Holst, Nathan A. Baker, Feng Wang