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Molecular modelling

Known as: Molecular modeling, Molecular simulations 
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used… 
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Papers overview

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Review
2010
Review
2010
From the Publisher: The basic goal of this new text is to introduce students to molecular modeling and simulation and to the… 
Review
2010
Highly Cited
2009
Highly Cited
2009
Highly Cited
2004
Highly Cited
2004
The fate of chemical and radioactive wastes in the environment is related to the ability of natural phases to attenuate and… 
Highly Cited
2003
Highly Cited
2003
Coupling methods for continuum models with molecular models are developed. Two methods are studied here: an overlapping domain… 
Highly Cited
2000
Highly Cited
2000
  • K. Hinsen
  • Journal of Computational Chemistry
  • 2000
  • Corpus ID: 104148
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on… 
Highly Cited
1997
Highly Cited
1997
In this article, we present a new LINear Constraint Solver (LINCS) for molecular simulations with bond constraints. The algorithm… 
Highly Cited
1996
Highly Cited
1996
*Preface *Acknowledgements *Molecular Modelling: Definitions, Historical Background and Some Introductory Concepts *Quantum…