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Nanoscale Molecular Dynamics

Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program) is computer software for molecular dynamics simulation, written… Expand
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Papers overview

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Highly Cited
2014
Highly Cited
2014
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open… Expand
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2012
2012
Power dissipation and energy consumption are becoming increasingly important architectural design constraints in different types… Expand
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Highly Cited
2012
Highly Cited
2012
We present a new computational tool, METAGUI, which extends the VMD program with a graphical user interface that allows… Expand
Highly Cited
2009
Highly Cited
2009
Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be… Expand
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2009
2009
Multi-core accelerators offer significant potential to improve the performance of parallel applications. However, tools to help… Expand
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2008
2008
  • A. Bhatele, L. Kalé
  • IEEE International Symposium on Parallel and…
  • 2008
  • Corpus ID: 10710908
The fastest supercomputers today such as Blue Gene/L and XT3 are connected by a 3-dimensional torus/mesh interconnect… Expand
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2008
2008
Computer clusters are a very cost-effective approach for high performance computing, but simulating a complete cluster is still… Expand
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Highly Cited
2007
Highly Cited
2007
Multi-core processors are growing as a new industry trend as single core processors rapidly reach the physical limits of possible… Expand
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Highly Cited
1999
Highly Cited
1999
Abstract Molecular dynamics programs simulate the behavior of biomolecular systems, leading to understanding of their functions… Expand
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Highly Cited
1996
Highly Cited
1996
NAMD is a molecular dynamics program designed for high performance simulations of large biomolecular systems on parallel… Expand
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