Abhishek Singharoy
Abhishek Singharoy
Assistant professor
Verified email at asu.edu - Homepage
Cited by
Cited by
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
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
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
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
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
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
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
Overall energy conversion efficiency of a photosynthetic vesicle
M Sener, J Strumpfer, A Singharoy, CN Hunter, K Schulten
Elife 5, e09541, 2016
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
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
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
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
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
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
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
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
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
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
Order parameters for macromolecules: Application to multiscale simulation
A Singharoy, S Cheluvaraja, P Ortoleva
The Journal of chemical physics 134 (4), 01B629, 2011
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
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