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- 2022
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Mark
Flap Dynamics in Pepsin-Like Aspartic Proteases : A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems
(
- 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
-
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
- 2016
-
Mark
Flap Dynamics in Aspartic Proteases : A Computational Perspective
(
- Contribution to journal › Scientific review