Pages that link to "Q51322619"
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The following pages link to Implementation of the solvent macromolecule boundary potential and application to model and realistic enzyme systems (Q51322619):
Displaying 7 items.
- Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based models (Q34243164) (← links)
- Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations (Q36258232) (← links)
- Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily (Q37137337) (← links)
- QM/MM free energy simulations: recent progress and challenges (Q37194421) (← links)
- QM/MM Analysis of Transition States and Transition State Analogues in Metalloenzymes (Q47101458) (← links)
- Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations (Q47124111) (← links)
- Advances in molecular quantum chemistry contained in the Q-Chem 4 program package (Q57250392) (← links)