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GROMACS

Known as: Gromacs MD, Gromacs MD code 
GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic… 
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Papers overview

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2016
2016
Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution
2014
2014
Effect of carrier blend proportion and flavor load on physical characteristics of nutmeg (Myristica frangrans Houtt.) oleoresin microencapsulated by spray drying.
The effect of proportion of maltodextrin and gum arabic as carrier material and the percentage of nutmeg oleoresin as flavor load… 
2011
2011
Autonomic Resource Management with Support Vector Machines
The use of virtualization technology makes data centers more dynamic and easier to administrate. Today, cloud providers offer… 
2011
2011
Molecular dynamics simulations and QM/MM studies of the reactivation by 2-PAM of tabun inhibited human acethylcolinesterase
A elucidacao das rotas de reativacao da acetilcolinesterase humana (HuAChE) inibida por organofosforados e de crucial importância… 
2010
2010
GridMACS Portal: A Grid Web Portal for Molecular Dynamics Simulation Using GROMACS
We developed GridMACS, a grid-enabled web portal with the aim of providing GUI for GROMACS and running a molecular dynamics… 
2007
2007
A Reconfigurable Load Balancing Architecture for Molecular Dynamics
This paper proposes a novel architecture supporting dynamic load balancing on an FPGA for a molecular dynamics algorithm. Load… 
2006
2006
NemC: A Network Emulator for Cluster-of-Clusters
A large number of clusters are being used in all different organizations such as universities, laboratories, etc. These clusters… 
2005
2005
Temperature dependence of the transport coefficients of ions from molecular dynamics simulations
2005
2005
Molecular dynamics simulation of barnacle cement
2000
2000
Domain Motions in Phosphoglycerate Kinase using Hierarchical NEIMO Molecular Dynamics Simulations
We examined the large-scale domain motions in the glycolytic enzyme phosphoglycerate kinase (PGK) using the hierarchical Newton… 
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