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- 2018
-
Mark
Can MM/GBSA calculations be sped up by system truncation?
Misini Ignjatović, Majda LU ; Mikulskis, Paulius LU ; Söderhjelm, Pär LU and Ryde, Ulf LU
(2018)
In Journal of Computational Chemistry
39(7).
p.361-372
- Contribution to journal › Article
- 2016
-
Mark
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
Misini Ignjatović, Majda ; Caldararu, Octav LU ; Dong, Geng LU ; Muñoz-Gutierrez, Camila ; Adasme-Carreño, Francisco and Ryde, Ulf LU
(2016)
In Journal of Computer-Aided Molecular Design
30(9).
p.707-730
- Contribution to journal › Article
- 2015
-
Mark
Assessment of Computational Methods for Ligand Binding
(2015)
- Thesis › Doctoral thesis (compilation)
- 2012
-
Mark
On the estimation of ligand binding affinities
(2012)
- Thesis › Doctoral thesis (compilation)