Publications
Bordner, AJ and Huber, GA. A New Boundary Element Formulation
of the Linear Poisson-Boltzmann Equation and a Continuous Fast Multipole Algorithm
for the Calculation of Forces on Macromolecules in Solution. in press.
Huber, GA. The Hierarchical Collective Motions Method for Computing
Large-Scale Motions of Biomolecules. submitted to J. Comput.
Chem.
Huber, GA. Multiscale Modelling of Large Biomolecules, in Foundations
of Molecular Modelling and Simulation. AIChE Symposium Series
No. 325, 54-60 (2001).
Huber, GA and McCammon, JA. OOMPAA: Object-Oriented Model for
Probing Assemblages of Atoms. J. Comput. Phys. 151,
264-282 (1999).
Huber, GA.
Future Directions for Combining Molecular and Continuum Models in Protein
Simulations. Prog. Biophys. Mol. Biol. 69,
483-496 (1998).
Elcock, A, Huber, GA, and McCammon, JA.
Electrostatic Channeling of Substrates Between Enzyme Active Sites: Comparison
of Simulation and Experiment. Biochemistry. 36,
16049-16058 (1997).
Huber, GA and McCammon, JA.
Weighted-Ensemble Simulated Annealing: Faster Optimization on Hierarchical
Energy Surfaces. Phys. Rev. E. 55, 4822-4825
(1997).
Huber, GA and Kim, S.
Weighted-Ensemble Brownian Dynamics Simulations for Protein Association Reactions. Biophys.
J. 70, 97-110 (1996).
