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THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method
Article
Article
THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method
Shankar Kumar; John M. Rosenberg; Djamal Bouzida; Robert H. Swendsen; Peter A. Kollman · Journal of Computational Chemistry · 1992
Abstract The Weighted Histogram Analysis Method (WHAM), an extension of Ferrenberg and Swendsen's Multiple Histogram Technique, has been applied for the first time on complex biomolecular Hamiltonians. The method is pres...
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A continuum method for modeling surface tension
Article
Article
A continuum method for modeling surface tension
J. U. Brackbill; D.B. Kothe; C. Zemach · Journal of Computational Physics · 1992
Subjects / keywords: Surface tension; Curvature; Capillary surface; Surface (topology); Mechanics; Transition point; Point (geometry); Classical mechanics; Mathematics; Geometry; Physics; Statistical physics
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Compact finite difference schemes with spectral-like resolution
Article
Article
Compact finite difference schemes with spectral-like resolution
Sanjiva K. Lele · Journal of Computational Physics · 1992
Subjects / keywords: Finite difference; Finite difference method; Mathematics; Resolution (logic); Compact finite difference; Physics; Mathematical analysis; Applied mathematics; Computer science; Artificial intelligence
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A method for registration of 3-D shapes
Article
Article
A method for registration of 3-D shapes
Paul J. Besl; Neil David McKay · IEEE Transactions on Pattern Analysis and Machine Intelligence · 1992
The authors describe a general-purpose, representation-independent method for the accurate and computationally efficient registration of 3-D shapes including free-form curves and surfaces. The method handles the full six...
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