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Personal profile

Research areas

My research evolves around computer simulations of complex biological assemblies, with special focus on biological membranes and membrane associated biological processes. The ultimate objective is to obtain fundamental scientific insight into both the assembly and evolution of complex biomolecular structures through interactions and modification of their environment; and into the functioning of isolated biomolecular machines. The goal of the investigations will also be to examine the fundamental molecular basis of diseased states resulting from a perturbation of these interactions, thus motivating biotechnological applications and the rational development of therapeutic remedies and drugs. An important feature of this research is a close interface with experiments, wherein experimental data will motivate simulations, which in turn will drive new analytical measurements. With this goal, several collaborations with leading experimental groups have been established. Representative Examples: The following are some examples of projects. All of them address fundamental scientific problems, and also have biotechnological and medical applications. My most recent work involves the discovery of multiple ion pathways in trans- membrane ion pumps, a proposal that is likely to forever change the way biology looks at ion transport (Nature, 2010, DOI: 10.1038/nature09309). In another project, we have shown for the first time, that triglyceride droplets can be stable within lipid bilayers, this has implications for lipid droplet biogenesis and the mobile lipid signal in cancer cell membranes (PLoS One, 2010, DOI: 10.1371/journal.pone.0012811). We showed how oxidized phospholipids -which are now known be in involved in the genesis of several diseases- can significantly alter the biochemical andbiophysicalpropertiesoflipidmembranes(Biophys.J.,2009,DOI: DOI:10.1016/j.bpj.2009.01.007). In recent collaborative work with the Danish Cancer Society and the University of Helsinki Medical School, we showed for the first time that lipid secondary messengers could be targeted for anticancer therapy (JACS, 2008, DOI: 10.1021/ja800516w). The seminal nature of the work attracted lot of press coverage in the scientific community. In yet another set of projects, I am investigating the effect of medicinal plant extracts on biological membranes and proteins residing therein. These representative examples illustrate the significant role of molecular simulations in the investigation of the molecular basis of diseased states, and consequent importance in realm of fundamental and health sciences research.

Education/Academic qualification

Biochemical Engineering and Biotechnology, Masters in Technology, Indian Institute of Technology Delhi

External positions

Visiting Professor, Tata Institute of Fundamental Research

Fingerprint Dive into the research topics where Himanshu Khandelia is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 1 Similar Profiles
Molecular Dynamics Simulation Medicine & Life Sciences
Membranes Chemical Compounds
lipids Physics & Astronomy
Lipids Chemical Compounds
Lipid Bilayers Medicine & Life Sciences
Lipid bilayers Chemical Compounds
Molecular dynamics Chemical Compounds
Computer simulation Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2005 2019

  • 62 Journal article
  • 4 Conference abstract in journal
  • 1 Conference abstract for conference
  • 1 Poster

Neurological disease mutations compromise a C-terminal ion pathway in the Na(+)/K(+)-ATPase

Poulsen, H., Khandelia, H., Morth, J. P., Bublitz, M., Mouritsen, O. G., Egebjerg, J. & Nissen, P., 2010, In : Nature. 467, 7311, p. 99-102

Research output: Contribution to journalJournal articleResearchpeer-review

Adenosine Triphosphatases

Lipid gymnastics: Complete acyl chain reversal in oxidized phospholipids: Evidence from Molecular simulations

Khandelia, H. & Mouritsen, O. G., 2009, In : Biophysical Journal. p. 459a 1 p.

Research output: Contribution to journalConference abstract in journalResearch

296 Downloads (Pure)

Triglyceride Blisters in Lipid Bilayers: Implications for Lipid Droplet Biogenesis and the Mobile Lipid Signal in Cancer Cell Membranes

Khandelia, H., Duelund, L., Pakkanen, K. I. & Ipsen, J. H., 2010, In : P L o S One. 5, 9, p. e12811

Research output: Contribution to journalJournal articleResearchpeer-review

lipid bilayers
Lipid bilayers

Quantifying the Relationship Between Curvature and Electric Potential in Lipid Bilayers

Bruhn, D. S., Lomholt, M. A. & Khandelia, H., 2016, In : The Journal of Physical Chemistry Part B. 120, 21, p. 4812-4817

Research output: Contribution to journalJournal articleResearchpeer-review

Lipid bilayers

A single K+-binding site in the crystal structure of the gastric proton pump

Yamamoto, K., Dubey, V., Irie, K., Nakanishi, H., Khandelia, H., Fujiyoshi, Y. & Abe, K., 22. Aug 2019, In : eLife. 8

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
Proton Pumps
Adenosine Triphosphatases
Crystal structure
Binding Sites

Activities 2009 2017

Member, ESF Pool of Referees for Peer Reviewing Activities undertaken for ESF funding schemes (External organisation)

Himanshu Khandelia (Member)
2010 → …

Activity: MembershipMembership of research networks or expert groups

Nature Scientific Reports (Journal)

Himanshu Khandelia (Editor)
2014 → …

Activity: Editorial work and peer reviewEditor of research journalResearch

International Workshop on Biomembranes: The consequences of complexity: CECAM conference, Helsinki

Himanshu Khandelia (Speaker)
15. Aug 201619. Aug 2016

Activity: Talks and presentationsTalks and presentations in private or public companies

The elusive proton in ion pumps

Himanshu Khandelia (Guest lecturer)
26. Sep 2017

Activity: Talks and presentationsConference presentations

Breaking resistance development using molecules ‘dancing’ in Fibronacci patterns / At bremse resistensudvikling ved hjælp af molekyler der ‘danser’ i Fibonacci mønstre

S. J. Fey (Guest lecturer), Himanshu Khandelia (Guest lecturer), Jette E. Kristiansen (Guest lecturer)
25. Jan 2017

Activity: Talks and presentationsConference presentations

Projects 2011 2022

Press / Media

Afgrøder kan beskyttes mod radioaktivt nedfald

Himanshu Khandelia


1 item of Media coverage

Press/Media: Press / Media

Punctured cell membranes lead to high blood pressure

Wojciech Kopec & Himanshu Khandelia


1 item of Media coverage

Press/Media: Press / Media

Kemisk stof kan beskytte afgrøder mod radioaktivt nedfald

Himanshu Khandelia


1 item of Media coverage

Press/Media: Press / Media

Millionbevilling til forskning i kræftcellers svagheder

Himanshu Khandelia


1 Media contribution

Press/Media: Press / Media


Himanshu Khandelia


1 Media contribution

Press/Media: Press / Media