Computational Chemistry

Phone+46462228648, +46462221428

Visiting addressShow on map
Naturvetarvägen 14 / Sölvegatan 39 A
222 62 Lund
Sweden
Postal addressShow on map
Box 124
221 00 Lund
Sweden

Pappu Acharya
- pappu.acharyachem.luse
- Computational Chemistry
Person
Swati Aggarwal
- swati.aggarwalchem.luse
- Molecular Biosciences - Visiting doctoral student
- Computational Chemistry - Researcher
Person
Martina Ambrogi
- martina.ambrogichem.luse
- Computational Chemistry - Postdoctoral fellow
Person

Minimal structural perturbation of Histatin 5 in crowded environments: Insights from small-angle X-ray scattering, dynamic light scattering, and computer simulations
Fagerberg, E., Holmqvist, P., Lenton, S., Pernot, P. & Skepö, M., 2025 Dec, In: Journal of Colloid and Interface Science. 700, 138310.
Research output: Contribution to journal › Article › peer-review

Open Access
Unraveling the conformational landscape of amyloid precursor protein intracellular domain
Mandal, N. & Skepö, M., 2025 Nov, In: Biophysical Journal. 124, 21, p. 3527-3541 15 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Captivating bimolecular photoredox dynamics of a ligand-to-metal charge transfer complex
Wegeberg, C., Calvet, N. A., Krafft, M., Chábera, P., Yartsev, A. & Persson, P., 2025 Oct 20, In: Chemical Science. 16, 46, p. 21975-21990 16 p.
Research output: Contribution to journal › Article › peer-review

Open Access

2 Not started
21 Active
36 Finished

Unlocking potential of bio-based adhesives in packaging by integrative research approach
Ambrogi, M. (PI)
Wallenberg Initiative Materials Science for Sustainability (WISE)
2025/09/01 → 2027/08/31
Project: Research
Computational Science Curricula - ASG, Pufendorf IAS
Sahlin, U. (PI), Guo, M. (Project coordinator), Ambjörnsson, T. (Researcher), Hartman, L. (Researcher), Klemmensen, R. (Researcher), Thorén, H. (Researcher), Persson, P. (Researcher) & Edén, P. (Researcher)
2025/09/01 → 2026/05/31
Project: Network
An integrative study of antimicrobial peptides and the intrinsically disordered protein hydration layer
Svensson, O. (PI) & Skepö, M. (Supervisor)
The Royal Physiographic Society in Lund
2025/06/16 → 2027/06/15
Project: Dissertation

3 Organisation of workshop/ seminar/ course
3 Presentation
2 Supervision of PhD students
2 Invited talk
More
- 1 Participation in conference
- 1 Organisation of conference

NanoLund Annual Meeting 2025
Maisi, V. (Member of programme committee), Persson, P. (Member of programme committee), Mikkelsen, A. (Host), Nielsen, A. (Organiser), Lindén, E. (Organiser), Alm, A.-K. (Organiser), Lindholm, A. (Organiser), Hessman, D. (Participant) & Löfgren, A. (Organiser)
2025 Oct 8
Activity: Participating in or organising an event › Organisation of conference
Common challenges in large-scale code development
Birken, P. (Organiser), Klöfkorn, R. (Organiser), Hein, J. (Organiser) & Veryazov, V. (Organiser)
2024 Oct 17
Activity: Participating in or organising an event › Organisation of workshop/ seminar/ course
Sustainable Photochemistry
Persson, P. (Organiser)
2023 Oct 5 → 2023 Oct 9
Activity: Participating in or organising an event › Organisation of workshop/ seminar/ course

Biochemical Society Inspiration and Resilience Award
Kamerlin, L. (Recipient), 2026
Prize: Prize (including medals and awards)
Biophysical Society (BPS) Theory & Computation Subgroup Mid-Career Award Winner
Kamerlin, L. (Recipient), 2024
Prize: Prize (including medals and awards)
Karcher-Barton Awardee Lecturer
Kamerlin, L. (Recipient), 2024
Prize: Prize (including medals and awards)