| Electrostatics of nanosystems: application to microtubules and the ribosome NA Baker, D Sept, S Joseph, MJ Holst, JA McCammon Proceedings of the National Academy of Sciences 98 (18), 10037-10041, 2001 | 8227 | 2001 |
| PDB2PQR: an automated pipeline for the setup of Poisson–Boltzmann electrostatics calculations TJ Dolinsky, JE Nielsen, JA McCammon, NA Baker Nucleic acids research 32 (suppl_2), W665-W667, 2004 | 3818 | 2004 |
| PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations TJ Dolinsky, P Czodrowski, H Li, JE Nielsen, JH Jensen, G Klebe, ... Nucleic acids research 35 (suppl_2), W522-W525, 2007 | 2110 | 2007 |
| Improvements to the APBS biomolecular solvation software suite E Jurrus, D Engel, K Star, K Monson, J Brandi, LE Felberg, DH Brookes, ... Protein Science 27 (1), 112-128, 2018 | 1938 | 2018 |
| Improving implicit solvent simulations: a Poisson-centric view NA Baker Current opinion in structural biology 15 (2), 137-143, 2005 | 457 | 2005 |
| Adaptive multilevel finite element solution of the Poisson–Boltzmann equation I. Algorithms and examples M Holst, N Baker, F Wang Journal of computational chemistry 21 (15), 1319-1342, 2000 | 383 | 2000 |
| Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms JA Wagoner, NA Baker Proceedings of the National Academy of Sciences 103 (22), 8331-8336, 2006 | 358 | 2006 |
| Web servers and services for electrostatics calculations with APBS and PDB2PQR S Unni, Y Huang, RM Hanson, M Tobias, S Krishnan, WW Li, JE Nielsen, ... Journal of Computational Chemistry 32 (7), 1488-1491, 2011 | 299 | 2011 |
| Progress in the prediction of pKa values in proteins E Alexov, EL Mehler, N Baker, A M. Baptista, Y Huang, F Milletti, ... Proteins: structure, function, and bioinformatics 79 (12), 3260-3275, 2011 | 289 | 2011 |
| Chemception: a deep neural network with minimal chemistry knowledge matches the performance of expert-developed QSAR/QSPR models GB Goh, C Siegel, A Vishnu, NO Hodas, N Baker arXiv preprint arXiv:1706.06689, 2017 | 279 | 2017 |
| Poisson–Boltzmann methods for biomolecular electrostatics NA Baker Methods in enzymology 383, 94-118, 2004 | 274 | 2004 |
| Adaptive multilevel finite element solution of the Poisson–Boltzmann equation II. Refinement at solvent‐accessible surfaces in biomolecular systems N Baker, M Holst, F Wang Journal of computational chemistry 21 (15), 1343-1352, 2000 | 267 | 2000 |
| Biomolecular electrostatics and solvation: a computational perspective P Ren, J Chun, DG Thomas, MJ Schnieders, M Marucho, J Zhang, ... Quarterly reviews of biophysics 45 (4), 427-491, 2012 | 221 | 2012 |
| The physical basis of microtubule structure and stability D Sept, NA Baker, JA McCammon Protein Science 12 (10), 2257-2261, 2003 | 186 | 2003 |
| Data-driven parameterization of the generalized Langevin equation H Lei, NA Baker, X Li Proceedings of the National Academy of Sciences 113 (50), 14183-14188, 2016 | 164 | 2016 |
| The adaptive multilevel finite element solution of the Poisson-Boltzmann equation on massively parallel computers NA Baker, D Sept, MJ Holst, JA McCammon IBM Journal of Research and Development 45 (3.4), 427-438, 2001 | 162 | 2001 |
| NanoParticle Ontology for cancer nanotechnology research DG Thomas, RV Pappu, NA Baker Journal of Biomedical Informatics 44 (1), 59-74, 2010 | 159 | 2010 |
| A multiscale model linking ion-channel molecular dynamics and electrostatics to the cardiac action potential JR Silva, H Pan, D Wu, A Nekouzadeh, KF Decker, J Cui, NA Baker, ... Proceedings of the National Academy of Sciences 106 (27), 11102-11106, 2009 | 156 | 2009 |
| Workshop report on basic research needs for scientific machine learning: Core technologies for artificial intelligence N Baker, F Alexander, T Bremer, A Hagberg, Y Kevrekidis, H Najm, ... USDOE Office of Science (SC), Washington, DC (United States), 2019 | 155 | 2019 |
| Differential geometry based solvation model I: Eulerian formulation Z Chen, NA Baker, GW Wei Journal of computational physics 229 (22), 8231-8258, 2010 | 155 | 2010 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
