Abhishek Singharoy
Abhishek Singharoy
Assistant professor
Verified email at asu.edu - Homepage
Title
Cited by
Cited by
Year
Scalable molecular dynamics on CPU and GPU architectures with NAMD
JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ...
The Journal of chemical physics 153 (4), 044130, 2020
3142020
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), 244-252, 2014
2062014
Molecular dynamics-based refinement and validation for sub-5 Ĺ cryo-electron microscopy maps
A Singharoy, I Teo, R McGreevy, JE Stone, J Zhao, K Schulten
Elife 5, e16105, 2016
932016
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
702014
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
642016
Atoms to phenotypes: molecular design principles of cellular energy metabolism
A Singharoy, C Maffeo, KH Delgado-Magnero, DJK Swainsbury, M Sener, ...
Cell 179 (5), 1098-1111. e23, 2019
562019
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
542016
Overall energy conversion efficiency of a photosynthetic vesicle
M Sener, J Strumpfer, A Singharoy, CN Hunter, K Schulten
Elife 5, e09541, 2016
522016
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
472016
Simultaneous Presence of Both Open Metal Sites and Free Functional Organic Sites in a Noncentrosymmetric Dynamic Metal–Organic Framework with Bimodal Catalytic and Sensing …
R Saha, B Joarder, AS Roy, S Manirul Islam, S Kumar
Chemistry–A European Journal 19 (49), 16607-16614, 2013
452013
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
412016
Molecular tailoring and prediction of strongly ferromagnetically coupled trimethylenemethane-based nitroxide diradicals
ME Ali, AS Roy, SN Datta
The Journal of Physical Chemistry A 111 (25), 5523-5527, 2007
402007
A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion
M Botte, NR Zaccai, R Martin, K Knoops, G Papai, J Zou, A Deniaud, ...
Scientific reports 6 (1), 1-13, 2016
382016
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
372016
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
372014
An investigation into the altered binding mode of green tea polyphenols with human serum albumin on complexation with copper
A Singha Roy, KS Ghosh, S Dasgupta
Journal of Biomolecular Structure and Dynamics 31 (10), 1191-1206, 2013
362013
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
362011
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
342016
Order parameters for macromolecules: Application to multiscale simulation
A Singharoy, S Cheluvaraja, P Ortoleva
The Journal of chemical physics 134 (4), 01B629, 2011
342011
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
322017
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