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JA Izaguirre
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Langevin stabilization of molecular dynamics
JA Izaguirre, DP Catarello, JM Wozniak, RD Skeel
The Journal of chemical physics 114 (5), 2090-2098, 2001
8622001
CompuCell, a multi-model framework for simulation of morphogenesis
JA Izaguirre, R Chaturvedi, C Huang, T Cickovski, J Coffland, G Thomas, ...
Bioinformatics 20 (7), 1129-1137, 2004
2592004
Longer time steps for molecular dynamics
JA Izaguirre, S Reich, RD Skeel
The Journal of chemical physics 110 (20), 9853-9864, 1999
2311999
An impulse integrator for Langevin dynamics
RD Skeel, JA Izaguirre
Molecular Physics 100 (24), 3885-3891, 2002
1592002
A framework for three-dimensional simulation of morphogenesis
TM Cickovski, C Huang, R Chaturvedi, T Glimm, HGE Hentschel, ...
IEEE/ACM Transactions on Computational Biology and Bioinformatics 2 (4), 273-288, 2005
1512005
On multiscale approaches to three-dimensional modelling of morphogenesis
R Chaturvedi, C Huang, B Kazmierczak, T Schneider, JA Izaguirre, ...
Journal of the Royal Society interface 2 (3), 237-253, 2005
1432005
ProtoMol, an object-oriented framework for prototyping novel algorithms for molecular dynamics
T Matthey, T Cickovski, S Hampton, A Ko, Q Ma, M Nyerges, T Raeder, ...
ACM Transactions on Mathematical Software (TOMS) 30 (3), 237-265, 2004
1352004
Shadow hybrid Monte Carlo: an efficient propagator in phase space of macromolecules
JA Izaguirre, SS Hampton
Journal of Computational Physics 200 (2), 581-604, 2004
1182004
A parallel implementation of the Cellular Potts Model for simulation of cell-based morphogenesis
N Chen, JA Glazier, JA Izaguirre, MS Alber
Computer physics communications 176 (11-12), 670-681, 2007
1142007
Verlet-I/r-RESPA/Impulse is limited by nonlinear instabilities
Q Ma, JA Izaguirre, RD Skeel
SIAM Journal on Scientific Computing 24 (6), 1951-1973, 2003
1082003
Work queue+ python: A framework for scalable scientific ensemble applications
P Bui, D Rajan, B Abdul-Wahid, J Izaguirre, D Thain
Workshop on python for high performance and scientific computing at sc11, 2011
1052011
Predicting protein-protein interactions from protein domains using a set cover approach
C Huang, F Morcos, SP Kanaan, S Wuchty, DZ Chen, JA Izaguirre
IEEE/ACM Transactions on Computational Biology and Bioinformatics 4 (1), 78-87, 2007
882007
Converting a high performance application to an elastic cloud application
D Rajan, A Canino, JA Izaguirre, D Thain
2011 IEEE Third International Conference on Cloud Computing Technology and …, 2011
712011
Modeling conformational ensembles of slow functional motions in Pin1-WW
F Morcos, S Chatterjee, CL McClendon, PR Brenner, R López-Rendón, ...
PLoS computational biology 6 (12), e1001015, 2010
702010
From genes to organisms via the cell: a problem-solving environment for multicellular development
T Cickovski, K Aras, M Swat, RMH Merks, T Glimm, HGE Hentschel, ...
Computing in science & engineering 9 (4), 50-60, 2007
682007
Accelerating the replica exchange method through an efficient all-pairs exchange
P Brenner, CR Sweet, D VonHandorf, JA Izaguirre
The Journal of chemical physics 126 (7), 074103, 2007
632007
BioCoRE: a collaboratory for structural biology
M Bhandarkar, G Budescu, WF Humphrey, JA Izaguirre, S Izrailev, ...
Simulation Series 31, 242-251, 1999
591999
Parallel multigrid summation for the N-body problem
JA Izaguirre, SS Hampton, T Matthey
Journal of Parallel and Distributed Computing 65 (8), 949-962, 2005
542005
Targeted mollified impulse: A multiscale stochastic integrator for long molecular dynamics simulations
Q Ma, JA Izaguirre
Multiscale Modeling & Simulation 2 (1), 1-21, 2003
462003
A separable shadow Hamiltonian hybrid Monte Carlo method
CR Sweet, SS Hampton, RD Skeel, JA Izaguirre
The Journal of chemical physics 131 (17), 174106, 2009
432009
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Artikelen 1–20