Wikidata

(Q58005548)

English

Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method

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title
Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method (English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16995728
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16995728%20AND%20SRC:MED&resulttype=core&format=json
retrieved
30 December 2019
main subject
automation
0 references
lead
0 references

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