Abhishek Singharoy

According to our database, Abhishek Singharoy authored at least 6 papers between 2012 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting.

Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy

J. Chem. Inf. Model., September, 2023

Data for manuscript "Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting".

Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy

Dataset, March, 2023

2021

Towards Conditional Generation of Minimal Action Potential Pathways for Molecular Dynamics.

John Kevin Cava, John W. Vant, Nicholas Ho, Ankita Shulka, Pavan K. Turaga, Ross Maciejewski, Abhishek Singharoy

CoRR, 2021

2020

Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials.

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

J. Chem. Inf. Model., 2020

2016

Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing.

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

Parallel Comput., 2016

2012

Multiscale Macromolecular Simulation: Role of Evolving Ensembles.

Abhishek Singharoy, Harshad Joshi, Peter J. Ortoleva

J. Chem. Inf. Model., 2012