Abhishek Singharoy

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 4

Top Topics

High Resolution

Molecular Dynamics Simulations

Protein Structure

Top Venues

J. Chem. Inf. Model.

Parallel Comput.

Publications

Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy
Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting. J. Chem. Inf. Model. 63 (18) (2023)
John Kevin Cava, John W. Vant, Nicholas Ho, Ankita Shulka, Pavan Turaga, Ross Maciejewski, Abhishek Singharoy
Towards Conditional Generation of Minimal Action Potential Pathways for Molecular Dynamics. CoRR (2021)
John W. Vant, Shae-Lynn J. Lahey, Kalyanashis Jana, Mrinal Shekhar, Daipayan Sarkar, Barbara H. Munk, Ulrich Kleinekathöfer, Sumit Mittal, Christopher N. Rowley, Abhishek Singharoy
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials. J. Chem. Inf. Model. 60 (5) (2020)
John E. Stone, Melih Sener, Kirby L. Vandivort, Angela Barragan, Abhishek Singharoy, Ivan Teo, João V. Ribeiro, Barry Isralewitz, Bo Liu, Boon Chong Goh, James C. Phillips, Craig MacGregor-Chatwin, Matthew P. Johnson, Lena F. Kourkoutis, C. Neil Hunter, Klaus Schulten
Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing. Parallel Comput. 55 (2016)
Abhishek Singharoy, Harshad Joshi, Peter J. Ortoleva
Multiscale Macromolecular Simulation: Role of Evolving Ensembles. J. Chem. Inf. Model. 52 (10) (2012)