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The top documents tagged [atom type]
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ChemSW Help
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foldx_manual30
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February 2013 Szilárd Dóránt Scientific & technical Presentation Pipeline Pilot Integration
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JKlustor clustering chemical libraries presented by … maintained by Miklós Vargyas Last update: 25 March 2010
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Ton van Daelen Accelrys, Inc. ChemAxon - Pipeline Pilot Integration
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2008 Accelrys EUGM Pipelining ChemAxon Szilard Dorant Solutions for Cheminformatics
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Basicity of some amines AmineKbpKb Ammonia NH 3 1.80E-054.74 Propylamine CH 3 CH 2 CH 2 NH 2 4.70E-043.33 2-Propylamine (CH 3 ) 2 CHNH 2 3.40E-043.47 Methylamine
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A coupled (hybrid) potential QM/MM/MD simulations in Amber Dr. Vladislav Vasilyev Supercomputer Facility The Australian National University
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Technology
Class-based reasoning (OWLED2012)
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Technology
Molecular symmetry and specialization of atomic connectivity by class-based reasoning of chemical structure
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Packing of more than one type of sphere into unit cells: -Packing of ions in salts -Which is usually larger, negative (anions) or positive (cations) ions?
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Before modern desktop computers because available, crystallographers built 3D structural models by hand –The earliest models such as that of myoglobin
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