화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Hydration Free Energies of Molecular Ions from Theory and Simulation
Misin M, Fedorov MV, Palmer DS
Journal of Physical Chemistry B, 120(5), 975, 2016
2 Predicting Solvation Free Energies Using Parameter-Free Solvent Models
Misin M, Palmer DS, Fedorov MV
Journal of Physical Chemistry B, 120(25), 5724, 2016
3 Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations
Ansari SM, Coletta A, Skeby KK, Sorensen J, Schiott B, Palmer DS
Journal of Physical Chemistry B, 120(40), 10453, 2016
4 Solvation Thermodynamics of Organic Molecules by the Molecular Integral Equation Theory: Approaching Chemical Accuracy
Ratkova EL, Palmer DS, Fedorov MV
Chemical Reviews, 115(13), 6312, 2015
5 Hydration Thermodynamics Using the Reference Interaction Site Model: Speed or Accuracy?
Frolov AI, Ratkova EL, Palmer DS, Fedorov MV
Journal of Physical Chemistry B, 115(19), 6011, 2011