Abhishek Singharoy
Abhishek Singharoy
Assistant Professor, Arizona State University
Verified email at ks.uiuc.edu - Homepage
TitleCited byYear
Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain
Q Li, S Wanderling, M Paduch, D Medovoy, A Singharoy, R McGreevy, ...
Nature structural & molecular biology 21 (3), 244, 2014
1702014
A structural model of the active ribosome-bound membrane protein insertase YidC
S Wickles, A Singharoy, J Andreani, S Seemayer, L Bischoff, ...
Elife 3, e03035, 2014
562014
Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps
A Singharoy, I Teo, R McGreevy, JE Stone, J Zhao, K Schulten
Elife 5, e16105, 2016
542016
Computational methodologies for real-space structural refinement of large macromolecular complexes
BC Goh, JA Hadden, RC Bernardi, A Singharoy, R McGreevy, T Rudack, ...
Annual review of biophysics 45, 253-278, 2016
442016
Advances in the molecular dynamics flexible fitting method for cryo-EM modeling
R McGreevy, I Teo, A Singharoy, K Schulten
Methods 100, 50-60, 2016
352016
Molecular Tailoring and Prediction of Strongly Ferromagnetically Coupled Trimethylenemethane-Based Nitroxide Diradicals
M Ali, A Singha Roy, SN Datta
The journal of Physical Chemistry A 111 (25), 5523, 2007
352007
Overall energy conversion efficiency of a photosynthetic vesicle
M Sener, J Strumpfer, A Singharoy, CN Hunter, K Schulten
elife 5, e09541, 2016
332016
Flexibility coexists with shape-persistence in cyanostar macrocycles
Y Liu, A Singharoy, CG Mayne, A Sengupta, K Raghavachari, K Schulten, ...
Journal of the American Chemical Society 138 (14), 4843-4851, 2016
332016
Multiscale simulation of microbe structure and dynamics
H Joshi, A Singharoy, YV Sereda, SC Cheluvaraja, PJ Ortoleva
Progress in biophysics and molecular biology 107 (1), 200-217, 2011
332011
xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures
R McGreevy, A Singharoy, Q Li, J Zhang, D Xu, E Perozo, K Schulten
Acta Crystallographica Section D: Biological Crystallography 70 (9), 2344-2355, 2014
312014
Order parameters for macromolecules: Application to multiscale simulation
A Singharoy, S Cheluvaraja, P Ortoleva
The Journal of chemical physics 134 (4), 01B629, 2011
312011
Conserved methionine dictates substrate preference in Nramp-family divalent metal transporters
AT Bozzi, LB Bane, WA Weihofen, AL McCabe, A Singharoy, CJ Chipot, ...
Proceedings of the National Academy of Sciences 113 (37), 10310-10315, 2016
282016
Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing
JE Stone, M Sener, KL Vandivort, A Barragan, A Singharoy, I Teo, ...
Parallel computing 55, 17-27, 2016
272016
Macromolecular crystallography for synthetic abiological molecules: combining xMDFF and PHENIX for structure determination of cyanostar macrocycles
A Singharoy, B Venkatakrishnan, Y Liu, CG Mayne, S Lee, CH Chen, ...
Journal of the American Chemical Society 137 (27), 8810-8818, 2015
252015
A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion
athieu Botte, NR Zaccai, JL Nijeholt, R Martin, K Knoops, G Papai, J Zou, ...
Scientific Reports 6, 38399, 2016
242016
Chemomechanical coupling in hexameric protein–protein interfaces harnesses energy within V-Type ATPases
A Singharoy, C Chipot, M Moradi, K Schulten
Journal of the American Chemical Society 139 (1), 293-310, 2017
202017
Azithromycin in the treatment of cholera in children
MK Bhattacharya, D Dutta, T Ramamurthy, D Sarkar, A Singharoy, ...
Acta Paediatrica 92 (6), 676-678, 2003
192003
Crystal structure and conformational change mechanism of a bacterial Nramp-family divalent metal transporter
AT Bozzi, LB Bane, WA Weihofen, A Singharoy, ER Guillen, HL Ploegh, ...
Structure 24 (12), 2102-2114, 2016
182016
Epitope fluctuations in the human papillomavirus are under dynamic allosteric control: a computational evaluation of a new vaccine design strategy
A Singharoy, A Polavarapu, H Joshi, MH Baik, P Ortoleva
Journal of the American Chemical Society 135 (49), 18458-18468, 2013
182013
Space warping order parameters and symmetry: Application to multiscale simulation of macromolecular assemblies
A Singharoy, H Joshi, Y Miao, PJ Ortoleva
The Journal of Physical Chemistry B 116 (29), 8423-8434, 2012
182012
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Articles 1–20