… that is parameterized by ab-initio data and describes arbitrary neutral organic molecules.
BERKELEY, CA, January 21, 2022 /24-7PressRelease/ — InterX Inc. have developed a polarizable force-field/simulation stack that is parameterized by ab-initio data and describes arbitrary neutral organic molecules. The simulation suite achieves solvation results better than chemical accuracy.
These findings are published online in Nature Communications: https://www.nature.com/articles/s41467-022-28041-0
About InterX Inc.
InterX Inc. is creating the technology to perform molecular simulations with chemical accuracy. The company and its Nobel Prize-winning team is applying the technology to real-world problems in Pharma, Biochemistry and Material Science. For further information about InterX refer to www.interxinc.com.
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