electrostatic potentials

31

JCC
2002

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Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

13 years 11 months ago

: A protocol is described for the treatment of molecular polarization in force field calculations. The resulting model is consistent in that both inter- and intramolecular polariza...

Pengyu Ren, Jay W. Ponder

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25

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NAR
2006

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PHEPS: web-based pH-dependent Protein Electrostatics Server

13 years 11 months ago

Download phemto.orgchm.bas.bg

PHEPS (pH-dependent Protein Electrostatics Server) is a web service for fast prediction and experiment planning support, as well as for correlation and analysis of experimentally ...

Alexander A. Kantardjiev, Boris P. Atanasov

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42

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JCC
2008

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Highly accurate biomolecular electrostatics in continuum dielectric environments

13 years 11 months ago

Download www.mth.msu.edu

: Implicit solvent models based on the Poisson-Boltzmann (PB) equation are frequently used to describe the interactions of a biomolecule with its dielectric continuum environment. ...

Y. C. Zhou, Michael Feig, G. W. Wei

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37

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BMCBI
2010

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Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering

13 years 11 months ago

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Background: Matrix metalloproteinases (MMPs) are well-known biological targets implicated in tumour progression, homeostatic regulation, innate immunity, impaired delivery of pro-...

Ilenia Giangreco, Orazio Nicolotti, Angelo Carotti...

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