Abhishek Singharoy

Scalable molecular dynamics on CPU and GPU architectures with NAMD

J. C. Phillips, David J. Hardy, Julio D. C. Maia et al. · The Journal of Chemical Physics · 2020 · 3.3K citations · Full text

Natural Sciences, High-performance Computing, Physics +17

Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain

Qufei Li, Sherry Wanderling, Marcin Paduch et al. · Nature Structural & Molecular Biology · 2014 · 242 citations

Natural Sciences, Biophysics, Physiology +15

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

Abhishek Singharoy, Christopher Maffeo, Karelia H. Delgado‐Magnero et al. · Cell · 2019 · 190 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +14

ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome

Alexander T. Baker, Ryan J. Boyd, Daipayan Sarkar et al. · Science Advances · 2021 · 172 citations · Full text

Medicine, Hematology, Molecular Biology +8

Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps

Abhishek Singharoy, Ivan Teo, Ryan McGreevy et al. · eLife · 2016 · 168 citations · Full text

Life Sciences, Biochemistry, Biophysics +17