𝔖 Bobbio Scriptorium
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GROW: A gradient-based optimization workflow for the automated development of molecular models

✍ Scribed by Marco Hülsmann; Thorsten Köddermann; Jadran Vrabec; Dirk Reith

Book ID
108107584
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
502 KB
Volume
181
Category
Article
ISSN
0010-4655

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📜 SIMILAR VOLUMES

A new method for the gradient-based opti
A new method for the gradient-based optimization of molecular complexes
✍ Jan Fuhrmann; Alexander Rurainski; Hans-Peter Lenhof; Dirk Neumann 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 160 KB

## Abstract We present a novel method for the local optimization of molecular complexes. This new approach is especially suited for usage in molecular docking. In molecular modeling, molecules are often described employing a compact representation to reduce the number of degrees of freedom. This co