Klaus Schulten
Papers / Talks
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20-032020
PaperScalable molecular dynamics on CPU and GPU architectures with NAMD
- James Phillips
- David J. Hardy
- Julio Maia
- John E. Stone
- João Ribeiro
- Rafael Bernardi
- Ronak Akshay Buch
- Giacomo Fiorin
- Jérôme Hénin
- Wei Jiang
- Ryan McGreevy
- Marcelo C. R. Melo
- Brian K. Radak
- Robert Skeel
- Abhishek Singharoy
- Yi Wang
- Benoît Roux
- Aleksei Aksimentiev
- Zaida Luthey-Schulten
- Laxmikant Vasudeo Kale
- Klaus Schulten
- Christophe Chipot
- Emad Tajkhorshid
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13-432013
Paper- James Phillips
- Klaus Schulten
- Abhinav Bhatele
- Chao Mei
- Yanhua Sun
- Eric Bohm
- Laxmikant Vasudeo Kale
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10-492010
TalkExascale packages for atomistic simulations from nanoscience to drug design
- Jean-Francois Mehaut
- Laxmikant Vasudeo Kale
- Chris Harrison
- Klaus Schulten
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07-052007
PaperBiomolecular Modeling in the Era of Petascale Computing
- Klaus Schulten
- James Phillips
- Laxmikant Vasudeo Kale
- Abhinav Bhatele
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05-242005
PaperBiomolecular Modeling using Parallel Supercomputers
- Laxmikant Vasudeo Kale
- Klaus Schulten
- Robert Skeel
- Glenn Martyna
- Mark Tuckerman
- James Phillips
- Sameer Kumar
- Gengbin Zheng
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05-232005
PaperScalable Molecular Dynamics with NAMD
- James Phillips
- Rosemary Braun
- Wei Wang
- James Gumbart
- Emad Tajkhorshid
- Elizabeth Villa
- Christophe Chipot
- Robert Skeel
- Laxmikant Vasudeo Kale
- Klaus Schulten
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99-071999
PaperBioCoRE: A Collaboratory for Structural Biology
- Milind Bhandarkar
- Gila Budescu
- William Humphrey
- Jesus Izaguirre
- Sergei Izrailev
- Laxmikant Vasudeo Kale
- Dorina Kosztin
- Ferenc Molnar
- James Phillips
- Klaus Schulten
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98-101998
PaperAlgorithmic Challenges in Computational Molecular Biophysics
- Tamar Schlick
- Robert Skeel
- Axel Brunger
- Laxmikant Vasudeo Kale
- John Board Jr.
- Jan Hermans
- Klaus Schulten
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98-061998
Paper- Tamar Schlick
- Robert Skeel
- Axel Brunger
- Klaus Schulten
- Laxmikant Vasudeo Kale
- Jan Hermans
- John Board Jr.
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98-051998
PaperAvoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code
- James Phillips
- Robert Brunner
- Aritomo Shinozaki
- Milind Bhandarkar
- Neal Krawetz
- Laxmikant Vasudeo Kale
- Robert Skeel
- Klaus Schulten
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98-031998
PaperNAMD2: Greater Scalability for Parallel Molecular Dynamics
- Laxmikant Vasudeo Kale
- Robert Skeel
- Milind Bhandarkar
- Robert Brunner
- Attila Gursoy
- Neal Krawetz
- James Phillips
- Aritomo Shinozaki
- Krishnan Varadarajan
- Klaus Schulten
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96-041996
PaperNAMD - a Parallel, Object-Oriented Molecular Dynamics Program
- M. Nelson
- William Humphrey
- Attila Gursoy
- A. Dalke
- Laxmikant Vasudeo Kale
- Robert Skeel
- Klaus Schulten
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95-011995
PaperMDScope - A visual Computing Environment for Structural Biology
- M. Nelson
- Attila Gursoy
- A. Dalke
- Laxmikant Vasudeo Kale
- Robert Skeel
- Klaus Schulten
- R. Kuffrin
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94-021994
PaperModeling Biomolecules: Larger Scales, Longer Durations
- John Board Jr.
- Laxmikant Vasudeo Kale
- Klaus Schulten
- Robert Skeel
- Tamar Schlick