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- 2024
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Mark
Computational exploration of FOXM1 inhibitors for glioblastoma : an integrated virtual screening and molecular dynamics simulation study
2024) In Journal of Biomolecular Structure and Dynamics(
- Contribution to journal › Article
- 2018
-
Mark
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
(
- Contribution to journal › Article
- 2017
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Mark
Resolving the problem of trapped water in binding cavities : prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics
(
- Contribution to journal › Article
-
Mark
Tensile Behavior of Single-crystal Nanosized Copper Beams with Voids
(
- Contribution to journal › Article