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2018
Mark On the Calculation of SAXS Profiles of Folded and Intrinsically Disordered Proteins from Computer Simulations
Henriques, João ^LU ; Arleth, Lise ; Lindorff-Larsen, Kresten and Skepö, Marie ^LU (2018) In Journal of Molecular Biology 430(16). p.2521-2539
- Contribution to journal › Article
Mark An insight into molecular motions and phase composition of gliadin/glutenin glycerol blends studied by ¹³C solid-state and ¹H time-domain NMR
Diuk Andrade, Fabiana ; Newson, William R. ; Bernardinelli, Oigres Daniel ; Rasheed, Faiza ; Cobo, Márcio Fernando ; Plivelic, Tomás S. ^LU ; Ribeiro deAzevedo, Eduardo and Kuktaite, Ramune (2018) In Journal of Polymer Science, Part B: Polymer Physics 56(9). p.739-750
- Contribution to journal › Article
Mark QM/MM free-energy perturbation and other methods to estimate ligand-binding affinities
Olsson, Martin ^LU (2018)
- Thesis › Doctoral thesis (compilation)
Mark G-score : A function to solve the puzzle of modeling the protonation states of β-secretase binding pocket
Gueto-Tettay, Carlos ^LU ; Martinez-Consuegra, Alejandro ; Pelaez-Bedoya, Luis and Drosos-Ramirez, Juan Carlos (2018) In Journal of Molecular Graphics and Modelling 85. p.1-12
- Contribution to journal › Article
Mark Immunoinformatics based vaccine design for zea M 1 pollen allergen
Basu, Anamika ; Sarkar, Anasua ^LU and Basak, Piyali (2018) In Journal of Young Pharmacists 10(3). p.260-266
- Contribution to journal › Article
2017
Mark Inhibition of Snake Venom Metalloproteinase by β-Lactoglobulin Peptide from Buffalo (Bubalus bubalis) Colostrum
Arpitha, Ashok ; Sebastin Santhosh, M. ; Chougule, Rohit A ^LU ; Girish, K. S. ; Vinod, D. and Aparna, H. S. (2017) In Applied Biochemistry and Biotechnology 182(4). p.1415-1432
- Contribution to journal › Article
Mark Simulating nanoindentation of thin Cu films using molecular dynamics and peridynamics
Ahadi, Aylin ^LU ; Hansson, Per ^LU and Melin, Solveig ^LU (2017) 8th International Conference on MATERIALS STRUCTURE & MICROMECHANICS OF FRACTURE In Solid State Phenomena 258 SSP. p.25-28
- Contribution to journal › Article
2016
Mark Size dependence of the Poisson's ratio in single-crystal fcc copper nanobeams
Ahadi, Aylin ^LU and Melin, Solveig ^LU (2016) In Computational Materials Science 111. p.322-327
- Contribution to journal › Article
Mark Influence of surface roughening on indentation behavior of thin copper coatings using a molecular dynamics approach
Hansson, Per ^LU (2016) In Computational Materials Science 117. p.233-239
- Contribution to journal › Article
Mark Insights on the structural perturbations in human MTHFR Ala222Val mutant by protein modeling and molecular dynamics
Abhinand, P. A. ; Shaikh, Faraz ; Bhakat, Soumendranath ^LU ; Radadiya, Ashish ; Bhaskar, L. V K S ; Shah, Anamik and Ragunath, P. K. (2016) In Journal of Biomolecular Structure and Dynamics 34(4). p.892-905
- Contribution to journal › Article

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