W. Michael Brown

发表

Creating Artificial Binding Pocket Boundaries To Improve the Efficiency of Flexible Ligand Docking

W. Michael Brown, David L. Vander Jagt, 2004, J. Chem. Inf. Model..

An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer

Miguel Fuentes-Cabrera, Trung Dac Nguyen, Jason D. Fowlkes, 2012, ICCS.

Inverse design of large molecules using linear diophantine equations

Jean-Loup Faulon, Donald P. Visco, Shawn Martin, 2005, 2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05).

A deterministic algorithm for constrained enumeration of transmembrane protein folds

W. Michael Brown, Jean-Loup Faulon, Kenneth L. Sale, 2005, Comput. Biol. Chem..

Implementing molecular dynamics on hybrid high performance computers - short range forces

Peng Wang, Steven J. Plimpton, Arnold N. Tharrington, 2011, Comput. Phys. Commun..

Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics

Tudor I. Oprea, Shawn Martin, Andrei Leitão, 2008, J. Chem. Inf. Model..

Implementing molecular dynamics on hybrid high performance computers - Three-body potentials

W. Michael Brown, Masako Yamada, W. M. Brown, 2013, Comput. Phys. Commun..

Reverse engineering chemical structures from molecular descriptors: how many solutions?

Jean-Loup Faulon, Shawn Martin, W. Michael Brown, 2005, J. Comput. Aided Mol. Des..

Genetic algorithm based task reordering to improve the performance of batch scheduled massively parallel scientific applications

W. Michael Brown, Ramanan Sankaran, Jordan Angel, 2015, Concurr. Comput. Pract. Exp..

Disparate data fusion for protein phosphorylation prediction

Jean-Loup Faulon, Genetha A. Gray, W. Michael Brown, 2010, Ann. Oper. Res..

Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh

Steven J. Plimpton, Arnold N. Tharrington, W. Michael Brown, 2012, Comput. Phys. Commun..

Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor

Jean-Loup Faulon, Shawn Martin, Mark D. Rintoul, 2006, J. Chem. Inf. Model..

Optimizing legacy molecular dynamics software with directive-based offload

Steven J. Plimpton, W. Michael Brown, Jan-Michael Y. Carrillo, 2015, Comput. Phys. Commun..

Optimal Neuronal Tuning for Finite Stimulus Spaces

W. Michael Brown, Alex Bäcker, Alex Bäcker, 2004, Neural Computation.

OpenOrd: an open-source toolbox for large graph layout

Kevin W. Boyack, Shawn Martin, Richard Klavans, 2011, Electronic Imaging.

Increasing Molecular Dynamics Simulation Rates with an 8-Fold Increase in Electrical Power Efficiency

Andrey Semin, Steven J. Plimpton, Karthik Raman, 2016, SC16: International Conference for High Performance Computing, Networking, Storage and Analysis.

Accelerated application development: The ORNL Titan experience

Ray W. Grout, Rick Archibald, Wayne Joubert, 2015, Comput. Electr. Eng..

LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Steven J. Plimpton, Trung Dac Nguyen, Hasan Metin Aktulga, 2021, Computer Physics Communications.