Molecular design software

Molecular design software is software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to… (More)
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Papers overview

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2009
2009
Protein structure prediction and design often involve discrete modeling of side-chain conformations on structural templates… (More)
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2008
2008
MOTIVATION The Backrub is a small but kinematically efficient side-chain-coupled local backbone motion frequently observed in… (More)
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2007
2007
The aim of this work is to elucidate how physical principles of protein design are reflected in natural sequences that evolved in… (More)
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Highly Cited
2006
Highly Cited
2006
CUPSAT (Cologne University Protein Stability Analysis Tool) is a web tool to analyse and predict protein stability changes upon… (More)
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2006
2006
MOTIVATION Structure-based protein redesign can help engineer proteins with desired novel function. Improving computational… (More)
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2006
2006
FASTER is a combinatorial optimization algorithm useful for finding low-energy side-chain configurations in side-chain placement… (More)
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2005
2005
Protein-protein association is essential for a variety of cellular processes and hence a large number of investigations are being… (More)
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Highly Cited
2004
Highly Cited
2004
MOTIVATION One important requirement for protein design is to be able to predict changes of protein stability upon mutation… (More)
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Highly Cited
2003
Highly Cited
2003
Computational methods play a central role in the rational design of novel proteins. The present work describes a new hybrid exact… (More)
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Highly Cited
2000
Highly Cited
2000
Dead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientations from a large set of… (More)
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