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

Molecular Dynamics Simulation Medicine & Life Sciences
Molecular dynamics Chemical Compounds
Nanosystems Chemical Compounds
Atoms Chemical Compounds
Cryoelectron Microscopy Medicine & Life Sciences
Viruses Chemical Compounds
simulation Physics & Astronomy
Electron microscopy Chemical Compounds

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Research Output 2007 2019

  • 591 Citations
  • 14 h-Index
  • 32 Article
  • 1 Chapter
  • 1 Review article

Rotational mechanism model of the bacterial V 1 motor based on structural and computational analyses

Singharoy, A., Chipot, C., Ekimoto, T., Suzuki, K., Ikeguchi, M., Yamato, I. & Murata, T., Jan 1 2019, In : Frontiers in Physiology. 10, FEB, 46.

Research output: Contribution to journalReview article

Open Access
Molecular Dynamics Simulation
Adenosine Triphosphate
Adenosine Triphosphatases
Adenosine Diphosphate
Hydrolysis
3 Citations (Scopus)

Constructing atomic structural models into cryo-EM densities using molecular dynamics – Pros and cons

Wang, Y., Shekhar, M., Thifault, D., Williams, C. J., McGreevy, R., Richardson, J., Singharoy, A. & Tajkhorshid, E., Jan 1 2018, (Accepted/In press) In : Journal of Structural Biology.

Research output: Contribution to journalArticle

Structural Models
Molecular Dynamics Simulation
Galactosidases
Electrons
Research
2 Citations (Scopus)

Inchworm movement of two rings switching onto a thread by biased Brownian diffusion represent a three-body problem

Benson, C. R., Maffeo, C., Fatila, E. M., Liu, Y., Sheetz, E. G., Aksimentiev, A., Singharoy, A. & Flood, A. H., Sep 18 2018, In : Proceedings of the National Academy of Sciences of the United States of America. 115, 38, p. 9391-9396 6 p.

Research output: Contribution to journalArticle

Rotaxanes
Electrochemistry
Fourier Analysis
Thermodynamics
4 Citations (Scopus)

CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments

Qi, Y., Lee, J., Singharoy, A., McGreevy, R., Schulten, K. & Im, W., Apr 20 2017, In : Journal of Physical Chemistry B. 121, 15, p. 3718-3723 6 p.

Research output: Contribution to journalArticle

graphical user interface
Molecular Dynamics Simulation
Vacuum
Graphical user interfaces
Molecular dynamics
14 Citations (Scopus)

Chemomechanical coupling in hexameric protein-protein interfaces harnesses energy within V-type ATPases

Singharoy, A., Chipot, C., Moradi, M. & Schulten, K., Jan 11 2017, In : Journal of the American Chemical Society. 139, 1, p. 293-310 18 p.

Research output: Contribution to journalArticle

Vacuolar Proton-Translocating ATPases
Adenosinetriphosphate
Adenosine Triphosphate
Proteins
Hydrolysis

Projects 2018 2020