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2025
Mark Computational exploration of FOXM1 inhibitors for glioblastoma : an integrated virtual screening and molecular dynamics simulation study
Swati, Kumari ; Varma, Sudhir Rama ; Parameswari, R. P. ; Panda, Siva Prasad ; Agrawal, Mohit ; Prakash, Anand ; Kumar, Dhruv and Agarwal, Prasoon ^LU (2025) In Journal of Biomolecular Structure and Dynamics 43(10). p.5199-5217
- Contribution to journal › Article
2018
Mark Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
Bhakat, Soumendranath ^LU ; Åberg, Emil and Söderhjelm, Pär ^LU (2018) In Journal of Computer-Aided Molecular Design 32(1). p.59-73
- Contribution to journal › Article
2017
Mark Tensile Behavior of Single-crystal Nanosized Copper Beams with Voids
Melin, Solveig ^LU ; Ahadi, Aylin ^LU and Hansson, Per ^LU (2017) In Solid State Phenomena 258. p.53-56
- Contribution to journal › Article
Mark Resolving the problem of trapped water in binding cavities : prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics
Bhakat, Soumendranath ^LU and Söderhjelm, Pär ^LU (2017) In Journal of Computer-Aided Molecular Design p.119-132
- Contribution to journal › Article

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