Paul Bauer
Kungliga Tekniska högskolan
H-index: 15
Europe-Sweden
Top articles of Paul Bauer
Title | Journal | Author(s) | Publication Date |
---|---|---|---|
Scalable constant pH molecular dynamics in GROMACS | Journal of Chemical Theory and Computation | Noora Aho Pavel Buslaev Anton Jansen Paul Bauer Gerrit Groenhof | 2022/9/21 |
Best practices in constant pH MD simulations: accuracy and sampling | Journal of Chemical Theory and Computation | Pavel Buslaev Noora Aho Anton Jansen Paul Bauer Berk Hess | 2022/9/15 |
Constant-Ph molecular dynamics simulations of a proton-gated ion channel | Biophysical Journal | Anton Jansen Paul Bauer Rebecca J Howard Erik Lindahl Berk Hess | 2022/2/11 |
Using Lambda Dynamics to Study Protonation States of GLIC | Biophysical Journal | Paul Bauer Noora Aho Anton Jansen Rebecca J Howard Berk Hess | 2021/2/12 |
Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS | The Journal of Chemical Physics | Szilárd Páll Artem Zhmurov Paul Bauer Mark Abraham Magnus Lundborg | 2020/10/7 |