Annual reports in computational chemistry
By D. Spellmeyer, R. Wheeler, D. Dixon. 2007
73 citations recorded by the source corpus.
Subfields: Physical and Theoretical Chemistry
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In Physical and Theoretical Chemistry
Citations in the corpus
- Convergence of single-step free energy perturbation (2017, background): “Many free energy simulations utilising a mixed quantum chemical molecular mechanical (QM/MM) Hamiltonian rely on what has been called the ‘indirect approach’ [6].”
- PharmGKB: The Pharmacogenomics Knowledge Base (2013, background): “Drug information including pharmacological effects, mechanisms of action, and structures was obtained from Drugbank [4] and Pubchem [9].”