Journal of Physical Chemistry B 2004 Ursula Rothlisberger - Abstracts
| Journal of Physical Chemistry B 2004 Ursula Rothlisberger | |||||
| Title | Subject | Authors | |||
|---|---|---|---|---|---|
| A variational definition of electrostatic potential derived charges. | Chemicals, plastics and rubber industries | Francesco Luigi Gervasio, Marialore Sulpizi, Alessandro Laio, Ursula Rothlisberger, Joost VandeVondele | |||
| Cisplatin binding to DNA oligomers from hybrid car-parrinello/molecular dynamics simulations. | Chemicals, plastics and rubber industries | Paolo Carloni, Katrin Spiegel, Ursula Rothlisberger | |||
| Nuclear magnetic resonance chemical shifts from hybrid DFT QM/MM calculations. | Chemicals, plastics and rubber industries | Ursula Rothlisberger, Daniel Sebastiani | |||
| Reaction mechanism of HIV-1 protease by hybrid car-parrinello/classical MD simulations. | Chemicals, plastics and rubber industries | Paolo Carloni, Ursula Rothlisberger, Iseli L. Nantes, Stefano Piana, Denis Bucher | |||
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