Computational Chemistry
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- 2026
-
Mark
Numerical studies of strong protein interactions
Vinterbladh, Isabel LU
(2026)
- Thesis › Licentiate thesis
-
Mark
Reaction-Diffusion Dynamics Simulations of Bimolecular Quenching in Solution
Liedtke, Simon A. LU ; Trulsson, Martin LU
and Persson, Petter
LU
(2026)
In Journal of Chemical Theory and Computation
22(7).
p.3153-3166
- Contribution to journal › Article
-
Mark
Conformational flexibility and transient structure of the proline-rich domain in p53
Berggren, Agnes LU ; Bakker, Michael LU ; Fisher, Hayden and Skepö, Marie LU
(2026)
In Biophysical Journal
125(8).
p.1914-1925
- Contribution to journal › Article
-
Mark
Resolving consecutive excited-state evolution in Fe-amido chromophores by wide-band optical transient absorption spectroscopy
Wegeberg, Christina LU ; Sidhu, Baldeep K. ; Chábera, Pavel LU ; Uhlig, Jens LU
; Cowin, Rory A.
; Weinstein, Julia A.
; Persson, Petter
LU
; Yartsev, Arkady
LU
and Herbert, David E.
(2026)
In Chemical Science
17(12).
p.6125-6137
- Contribution to journal › Article
-
Mark
Manipulating Al-Ga-based alloys' hydrolysis performance for hydrogen supply by balancing grain growth and liquid metal embrittlement
- Contribution to journal › Article
-
Mark
Physicochemical Principles Governing the Intrinsically Disordered Salivary Peptide Histatin 5 : Ensemble Structure, Electrostatics, and Environmental Responsiveness
Svensson, Oskar LU ; Lenton, Samuel and Skepö, Marie LU
(2026)
In Journal of Physical Chemistry B
130(14).
p.3799-3807
- Contribution to journal › Scientific review
-
Mark
The borderlands of foldability : lessons from simplified proteins
Seya, Koh ; Brownless, Alfie Louise R. ; Kamerlin, Shina C.L. LU
and Longo, Liam M.
(2026)
In Trends in Chemistry
8(5).
p.362-376
- Contribution to journal › Scientific review
-
Mark
Structural basis for uracil removal from DNA by human SMUG1
- Contribution to journal › Article
-
Mark
Structural insights into urocanate reductase using room-temperature X-ray crystallography
Aggarwal, Swati LU ; Gurav, Nitisha LU
; Oksanen, Esko
LU
; Lindkvist-Petersson, Karin
LU
and Venskutonytė, Raminta
LU
(2026)
In Acta Crystallographica Section D: Structural Biology
82.
p.603-614
- Contribution to journal › Article
-
Mark
In Silico Discovery of ABZI Nitrogen Heterocycle STING Agonists via 3D-QSAR, Molecular Dynamics, and AI-Based Synthesis Prediction
- Contribution to journal › Article