| 2008 |
|---|
| 5 | EE | Katrin Spiegel,
Alessandra Magistrato,
Patrick Maurer,
Paolo Ruggerone,
Ursula Rothlisberger,
Paolo Carloni,
Jan Reedijk,
Michael L. Klein:
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.
Journal of Computational Chemistry 29(1): 38-49 (2008) |
| 2006 |
|---|
| 4 | EE | Kwang Jin Oh,
Michael L. Klein:
A parallel molecular dynamics simulation scheme for a molecular system with bond constraints in NPT ensemble.
Computer Physics Communications 174(4): 263-269 (2006) |
| 3 | EE | Kwang Jin Oh,
Michael L. Klein:
A general purpose parallel molecular dynamics simulation program.
Computer Physics Communications 174(7): 560-568 (2006) |
| 2 | EE | Satyavani Vemparala,
Ivaylo Ivanov,
Vojislava Pophristic,
Katrin Spiegel,
Michael L. Klein:
Ab initio calculations of intramolecular parameters for a class of arylamide polymers.
Journal of Computational Chemistry 27(6): 693-700 (2006) |
| 2000 |
|---|
| 1 | | Dennis M. Newns,
Qingfeng Zhong,
Preston B. Moore,
T. Husslein,
Pratap Pattnaik,
Michael L. Klein:
Molecular dynamics study of structure and gating of low molecular weight ion channels.
Parallel Computing 26(7-8): 965-976 (2000) |
