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In a previous post we noted the increasing importance of biologics as therapeutic agents, with 37% of the drugs approved by the FDA in 2017 being biologic entities. A recent article in Chemical & ...
How E-Notebooks Make a Difference in Regulated Labs
Predict acid dissociation constants via ChemBio3D's MOPAC computational chemistry interface.
ChemBio3D brings workstation-quality molecular graphics and rigorous computational methods to your desktop. ...
Chem3D predicts spectra via multiple computational chemistry packages. Those packages include MOPAC, GAMESS, ...
This video demonstrates using MMFF94 to predict oleic acid's bond angle, and compares MMFF94's predicted bond ...
A state of the art software that is designed for desktop molecular modeling of both small and large molecules
Values for pKa can be predicted or it can be looked up:
Chem3D provides built-in searchable help for MOPAC, with references to MOPAC's full online documentation manual. ...
Did you know that you can now use MOPAC 2007 with ChemBio3D? MOPAC2007 is a completely updated and ...
Tautomers present an interesting problem for chemical search programs. They represent interchangeable structures ...