| ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome AT Baker, RJ Boyd, D Sarkar, A Teijeira-Crespo, CK Chan, E Bates, ... Science Advances 7 (49), eabl8213, 2021 | 146 | 2021 |
| 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 | 142 | 2019 |
| CryoFold: Determining protein structures and data-guided ensembles from cryo-EM density maps M Shekhar, G Terashi, C Gupta, D Sarkar, G Debussche, NJ Sisco, ... Matter 4 (10), 3195-3216, 2021 | 35* | 2021 |
| Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials JW Vant, SLJ Lahey, K Jana, M Shekhar, D Sarkar, BH Munk, ... Journal of chemical information and modeling 60 (5), 2591-2604, 2020 | 28 | 2020 |
| Exploring cryo-electron microscopy with molecular dynamics JW Vant, D Sarkar, J Nguyen, AT Baker, JV Vermaas, A Singharoy Biochemical Society Transactions 50 (1), 569-581, 2022 | 13 | 2022 |
| Data-guided Multi-Map variables for ensemble refinement of molecular movies JW Vant, D Sarkar, E Streitwieser, G Fiorin, R Skeel, JV Vermaas, ... The Journal of Chemical Physics 153 (21), 2020 | 13 | 2020 |
| Energy landscape of the SARS-CoV-2 reveals extensive conformational heterogeneity G Mashayekhi, J Vant, A Polavarapu, A Ourmazd, A Singharoy Current research in structural biology 4, 68-77, 2022 | 8 | 2022 |
| ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome. Sci. Adv. 7, eabl8213 AT Baker, RJ Boyd, D Sarkar, A Teijeira-Crespo, CK Chan, E Bates, ... | 5 | 2021 |
| Large-Scale Molecular Dynamics Simulations of Cellular Compartments E Wilson, J Vant, J Layton, R Boyd, H Lee, M Turilli, B Hernández, ... Structure and Function of Membrane Proteins, 335-356, 2021 | 5 | 2021 |
| Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting D Sarkar, H Lee, JW Vant, M Turilli, JV Vermaas, S Jha, A Singharoy Journal of Chemical Information and Modeling 63 (18), 5834-5846, 2023 | 3* | 2023 |
| Functional Organization of Glycolytic Metabolon on Mitochondria H Wang, J Vant, Y Wu, R Sanchez, ML Micou, A Zhang, V Luczak, SB Yu, ... bioRxiv, 2023 | 2 | 2023 |
| Analysis of the rotationally-resolved infrared spectrum of CD379Br and CD381Br between 900 and 1400 cm− 1 T Masiello, JW Vant, CS Brauer, TA Blake Journal of Molecular Spectroscopy 393, 111760, 2023 | 1 | 2023 |
| Learning Free Energy Pathways through Reinforcement Learning of Adaptive Steered Molecular Dynamics N Ho, JK Cava, J Vant, A Shukla, J Miratsky, P Turaga, R Maciejewski, ... bioRxiv, 2022.10. 04.510845, 2022 | 1 | 2022 |
| The high-resolution infrared analysis of the ν3 and ν6 bands of CD3Br T Masiello, S Ray, JW Vant, CS Brauer, TA Blake Journal of Molecular Spectroscopy 376, 111405, 2021 | 1 | 2021 |
| Poor Person’s pH Simulation of Membrane Proteins C Gupta, U Khaniya, JW Vant, M Shekhar, J Mao, MR Gunner, ... Computational Design of Membrane Proteins, 197-217, 2021 | 1 | 2021 |
| Mind reading of the proteins: Deep-learning to forecast molecular dynamics C Gupta, JK Cava, D Sarkar, E Wilson, J Vant, S Murray, A Singharoy, ... bioRxiv, 2020.07. 28.225490, 2020 | 1 | 2020 |
| Molecular Dynamics Flexible Fitting: All You Want to Know About Resolution Exchange JW Vant, D Sarkar, C Gupta, MS Shekhar, S Mittal, A Singharoy Protein Structure Prediction, 301-315, 2020 | 1 | 2020 |
| CryoFold: determining protein structures and ensembles from cryo-EM data M Shekhar, G Terashi, C Gupta, D Sarkar, G Debussche, NJ Sisco, ... | 1 | 2019 |
| Structural mechanism of HP1α-dependent transcriptional repression and chromatin compaction V Sokolova, J Miratsky, V Svetlov, M Brenowitz, J Vant, T Lewis, K Dryden, ... bioRxiv, 2023 | | 2023 |
| Structural mechanism of HP1α-dependent transcriptional repression and chromatin compaction V Sokolova, J Miratsky, V Svetlov, M Brenowitz, J Vant, T Lewis, K Dryden, ... Biorxiv, 2023 | | 2023 |
Abhishek SingharoyAssistant professorVerified email at asu.edu
