Himanshu Khandelia

Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations

Wojciech Kopec, Himanshu Khandelia, H. Khandelia, 2014, Journal of Computer-Aided Molecular Design.

On identifying collective displacements in apo-proteins that reveal eventual binding pathways

Surajit Sengupta, Himanshu Khandelia, Dheeraj Dube, 2018, bioRxiv.

Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics

Himanshu Khandelia, Paulo Siani, M. Orsi, 2018, Journal of Computer-Aided Molecular Design.

Multi-scale Modeling of Biomimetic Membranes

Lars Yde, Himanshu Khandelia, Mathias F. Gruber, 2011 .

K+ binding and proton redistribution in the E2P state of the H+, K+-ATPase

Ilia A Solov'yov, Minwoo Han, Wojciech Kopec, 2018, Scientific Reports.

Correlation between simulated physicochemical properties and hemolycity of protegrin-like antimicrobial peptides: Predicting experimental toxicity

Yiannis N. Kaznessis, Allison A. Langham, Himanshu Khandelia, 2008, Peptides.

Molecular dynamics simulations of the interactions of medicinal plant extracts and drugs with lipid bilayer membranes

Jelena Telenius, Wojciech Kopec, Himanshu Khandelia, 2013, The FEBS journal.

Protein Kinase A (PKA) Phosphorylation of Na+/K+-ATPase Opens Intracellular C-terminal Water Pathway Leading to Third Na+-binding site in Molecular Dynamics Simulations*

Poul Nissen, Himanshu Khandelia, Ole G Mouritsen, 2012, The Journal of Biological Chemistry.

Molecular mechanism of the allosteric enhancement of the umami taste sensation

Himanshu Khandelia, Ole G Mouritsen, O. G. Mouritsen, 2012, The FEBS journal.