Calculating Residue Flexibility Information from Statistics and Energy based Prediction

Zöllner F, Neumann S, Koch K, Kummert F, Sagerer G (2002) .

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Abstract
Fast Docking algorithms usually employ the rigid-body assumption~¸iteAck98,ewing2001. They score geometric complementarity as well as physico-chemical features. However, for unbound protein docking steric clashes might impose wrong penalization if side-chains change their conformation during the docking process. Using elasticity information obtained through energy calculations and statistics, we introduce a flexibility measure that combines the two. We reduce the influence of steric clash for side chains that are likely to change when scoring docking constellations.
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Zöllner F, Neumann S, Koch K, Kummert F, Sagerer G. Calculating Residue Flexibility Information from Statistics and Energy based Prediction.; 2002.
Zöllner, F., Neumann, S., Koch, K., Kummert, F., & Sagerer, G. (2002). Calculating Residue Flexibility Information from Statistics and Energy based Prediction.
Zöllner, F., Neumann, S., Koch, K., Kummert, F., and Sagerer, G. (2002). Calculating Residue Flexibility Information from Statistics and Energy based Prediction.
Zöllner, F., et al., 2002. Calculating Residue Flexibility Information from Statistics and Energy based Prediction,
F. Zöllner, et al., Calculating Residue Flexibility Information from Statistics and Energy based Prediction, 2002.
Zöllner, F., Neumann, S., Koch, K., Kummert, F., Sagerer, G.: Calculating Residue Flexibility Information from Statistics and Energy based Prediction. (2002).
Zöllner, Frank, Neumann, Steffen, Koch, Kerstin, Kummert, Franz, and Sagerer, Gerhard. Calculating Residue Flexibility Information from Statistics and Energy based Prediction. 2002.
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