Article

Could Quantum Mechanical Properties be Reflected on Classical Molecular Dynamics? the Case of Halogenated Organic Compounds of Biological Interest

2019-12-11

Abstract excerpt

Essential to understanding life, the biomolecular phenomena have been an important subject in science, therefore a necessary path to be covered to make progress in human knowledge. To fully comprehend these processes, the noncovalent interactions are the key. In this review, we discuss how specific protein-ligand interactions can be efficiently described by low computational cost methods, such as Molecular Me...

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Literature Corpus work: 036412db-7fb6-5f3d-bee1-46267d0e53de
DOI: 10.26434/chemrxiv.11309642.v1

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