Keywords of "Is the Bias Introduced in an FEP Calculation by Parameterizing a QM Reaction Acceptable? Comparison with Car-Parrinello MD/AMBER Results for the Second Proton Transfer in Triosephosphate Isomerase (TIM)"

Label

• Keywords of "Is the Bias Introduced in an FEP Calculation by Parameterizing a QM Reaction Acceptable? Comparison with Car-Parrinello MD/AMBER Results for the Second Proton Transfer in Triosephosphate Isomerase (TIM)" (literal)
• Parole chiave di "Is the Bias Introduced in an FEP Calculation by Parameterizing a QM Reaction Acceptable? Comparison with Car-Parrinello MD/AMBER Results for the Second Proton Transfer in Triosephosphate Isomerase (TIM)" (literal)

Insieme di parole chiave di

• Is the Bias Introduced in an FEP Calculation by Parameterizing a QM Reaction Acceptable? Comparison with Car-Parrinello MD/AMBER Results for the Second Proton Transfer in Triosephosphate Isomerase (TIM) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)

Ha membro

• ab initio calculations (Parola chiave)
• theoretical study (Parola chiave)
• QM/FEP (Parola chiave)
• enzyme catalysis (Parola chiave)
• CPMD/MM (Parola chiave)

Incoming links:

Insieme di parole chiave

• Is the Bias Introduced in an FEP Calculation by Parameterizing a QM Reaction Acceptable? Comparison with Car-Parrinello MD/AMBER Results for the Second Proton Transfer in Triosephosphate Isomerase (TIM) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)

Membro di

• ab initio calculations (Parola chiave)
• enzyme catalysis (Parola chiave)
• CPMD/MM (Parola chiave)
• theoretical study (Parola chiave)
• QM/FEP (Parola chiave)