J. Andrew McCammon

List of research outcomes

This list is not complete and representing at the moment only items from zbMATH Open and arXiv. We are working on additional sources - please check back here soon!

Publication	Date of Publication	Type
The implementation of the colored abstract simplicial complex and its application to mesh generation ACM Transactions on Mathematical Software	2020-04-24	Paper
Variational implicit-solvent predictions of the dry–wet transition pathways for ligand–receptor binding and unbinding kinetics Proceedings of the National Academy of Sciences	2020-03-04	Paper
Hierarchical orthogonal matrix generation and matrix-vector multiplications in rigid body simulations SIAM Journal on Scientific Computing	2018-05-18	Paper
Mathematical and numerical aspects of the adaptive fast multipole Poisson-Boltzmann solver Communications in Computational Physics	2017-10-27	Paper
Potential drug-like inhibitors of group 1 influenza neuraminidase identified through computer-aided drug design Computational Biology and Chemistry	2017-07-10	Paper
AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems Computer Physics Communications	2016-11-11	Paper
Multi-core CPU or GPU-accelerated multiscale modeling for biomolecular complexes Molecular Based Mathematical Biology	2013-12-05	Paper
Browndye: A software package for Brownian dynamics Computer Physics Communications	2011-06-30	Paper
AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems Computer Physics Communications	2011-05-31	Paper
scientific article; zbMATH DE number 5262917 (Why is no real title available?)	2008-04-14	Paper
``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems Journal of Computational Physics	2007-11-01	Paper
ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules Molecular Simulation	2004-03-18	Paper
scientific article; zbMATH DE number 1595169 (Why is no real title available?)	2001-08-05	Paper
scientific article; zbMATH DE number 1595162 (Why is no real title available?)	2001-07-19	Paper
NWChem: Exploiting parallelism in molecular simulations Computer Physics Communications	2001-01-30	Paper
OOMPAA -- Object-oriented model for probing assemblages of atoms Journal of Computational Physics	1999-09-22	Paper
ICIAM/GAMM 95 Applied sciences, especially Mechanics Minisymposia Contributions ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik	1997-11-12	Paper
Ordinary differential equations of molecular dynamics Computers & Mathematics with Applications	1995-02-09	Paper
scientific article; zbMATH DE number 434564 (Why is no real title available?)	1994-06-14	Paper

Research outcomes over time

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