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Metadynamics

Metadynamics (MTD; also abbreviated as METAD or MetaD) is a computer simulation method in computational physics, chemistry and biology. It is used to… 
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Related topics

Related topics

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Assisted Model Building with Energy Refinement (AMBER)CP2KComputational biologyComputational physics

Broader (1)

Computational chemistry

Papers overview

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2020
2020
Recent Results on Computational Molecular Modeling of The Origins of Life
Abstract In the last decade of research in the origins of life, there has been an increase in the interest on theoretical… 
2018
2018
Investigation of the dynamic nature of proteins with enhanced sampling techniques
In dieser Arbeit werden zwei Aspekte der dynamischen Natur von Proteinen mit Hilfe von Enhanced Sampling Methoden untersucht… 
2017
2017
Free-energy landscapes in magnetic systems from metadynamics
Knowledge of free energy barriers separating different states is critically important for assessment of long-term stability of… 
2014
2014
Attractor Metadynamics in Adapting Neural Networks
Slow adaption processes, like synaptic and intrinsic plasticity, abound in the brain and shape the landscape for the neural… 
2014
2014
SAXS-Guided Metadynamics
In this paper a theoretical method, under the name of Metadynamics, is brought together with the data acquired from the… 
2010
2010
Effective Monte Carlo Scheme for Multicomponent Gas Adsorption and Enantioselectivity in Nanoporous Materials
We devise an efficient Monte Carlo scheme to study the adsorption of a multicomponent gas in a nanoporous material. The… 
2010
2010
Theoretical study of chemical reactivity: from nano-objects to follow the entropy via metadynamics simulations
The most theoretical method used to study the chemical reactivity is the search for stationary points of potential energy surface… 
2010
2010
CdTe surfaces: Characterizing dynamical processes with first-principles metadynamics
We study dynamical processes at CdTe surfaces using ab initio metadynamics simulations. The c(2×2) to (2×1) transition of the Te… 
2009
2009
Immune Learning in a Dynamic Information Environment
In Adaptive Information Filtering, the user profile has to be able to define and maintain an accurate representation of the user… 
2008
2008
A Hybrid Artificial Immune Genetic Algorithm with Fuzzy Rules for Breast Cancer Diagnosis
The automatic diagnosis of breast cancer is an important, real-world medical problem. In this paper we give an introduction to… 
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