Abhishek Singharoy (Abishek Singharoy)

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 33

Top Topics

Respiratory Syndrome Coronavirus

Single Molecule

Molecular Dynamics

Top Venues

Research square

Journal of the American Chemical Society

Science advances

This page only lists publications with an associated author ORCID identifier.

Publications

Haoming Wang, John W Vant, Andrew Zhang, Richard G Sánchez, Youjun Wu, Mary L Micou, Vincent Luczak, Zachary D Whiddon, Natasha M Carlson, Seungyoon Blenda Yu, Mirna Jabbo, Seokjun Yoon, Ahmed A Abushawish, Majid Ghassemian, Takeya Masubuchi, Quan Gan, Shigeki Watanabe, Eric R Griffis, Marc Hammarlund, Abhishek Singharoy, Gulcin Pekkurnaz
Organization of a functional glycolytic metabolon on mitochondria for metabolic efficiency. Nature metabolism (2024)
Adam Pirnia, Ranel Maqdisi, Sumit Mittal, Melih Sener, Abhishek Singharoy
Perspective on Integrative Simulations of Bioenergetic Domains. The journal of physical chemistry. B 128 (14) (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore Pintilie, Stephen Burley, Jiri Cerny, Vincent Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael Prisant, Randy J Read, Jane S Richardson, Alexis Rohou, Bohdan Schneider, Benjamin Sellers, Chenghua Chao, Elizabeth Sourial, Chris Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel Moriarty, Andrew Muenks, Garib Murshudov, Robert Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar Pothula, Christopher Rowley, Daipayan Sarkar, Luisa Schäfer, Christopher Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea Vaiana, Sundeep Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen Berman, Wah Chiu
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge. Research square (2024)
Cvetelin Vasilev, Jon Nguyen, Adam G M Bowie, Guy E Mayneord, Elizabeth C Martin, Andrew Hitchcock, Taras V Pogorelov, Abhishek Singharoy, Christopher Neil Hunter, Matthew P Johnson
Single-Molecule Detection of the Encounter and Productive Electron Transfer Complexes of a Photosynthetic Reaction Center. Journal of the American Chemical Society (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael G Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge. Nature methods 21 (7) (2024)
Cvetelin Vasilev, Jon Nguyen, Adam G M Bowie, Guy E Mayneord, Elizabeth C Martin, Andrew Hitchcock, Taras V Pogorelov, Abhishek Singharoy, Christopher Neil Hunter, Matthew P Johnson
Single-Molecule Detection of the Encounter and Productive Electron Transfer Complexes of a Photosynthetic Reaction Center. Journal of the American Chemical Society 146 (29) (2024)
Cvetelin Vasilev, Jon Nguyen, Adam G M Bowie, Guy E Mayneord, Elizabeth C Martin, Andrew Hitchcock, Taras V Pogorelov, Abhishek Singharoy, Christopher Neil Hunter, Matthew P Johnson
Single-Molecule Detection of the Encounter and Productive Electron Transfer Complexes of a Photosynthetic Reaction Center. Journal of the American Chemical Society 146 (29) (2024)
Cvetelin Vasilev, Jon Nguyen, Adam G M Bowie, Guy E Mayneord, Elizabeth C Martin, Andrew Hitchcock, Taras V Pogorelov, Abhishek Singharoy, Christopher Neil Hunter, Matthew P Johnson
Single-Molecule Detection of the Encounter and Productive Electron Transfer Complexes of a Photosynthetic Reaction Center. Journal of the American Chemical Society 146 (29) (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge. Research square (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael G Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge. Nature methods 21 (7) (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael G Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge. Nature methods (2024)
Adam Pirnia, Ranel Maqdisi, Sumit Mittal, Melih Sener, Abhishek Singharoy
Perspective on Integrative Simulations of Bioenergetic Domains. The journal of physical chemistry. B (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge. Research square (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore Pintilie, Stephen Burley, Jiri Cerny, Vincent Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael Prisant, Randy J Read, Jane S Richardson, Alexis Rohou, Bohdan Schneider, Benjamin Sellers, Chenghua Chao, Elizabeth Sourial, Chris Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel Moriarty, Andrew Muenks, Garib Murshudov, Robert Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar Pothula, Christopher Rowley, Daipayan Sarkar, Luisa Schäfer, Christopher Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea Vaiana, Sundeep Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen Berman, Wah Chiu
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge. Research square (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael G Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge. Nature methods 21 (7) (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge. Research square (2024)
Catherine L Lawson, Andriy Kryshtafovych, Grigore D Pintilie, Stephen K Burley, Jiri Cerny, Vincent B Chen, Paul Emsley, Alberto Gobbi, Andrzej Joachimiak, Sigrid Noreng, Michael G Prisant, Randy J Read, Jane S Richardson, Alexis L Rohou, Bohdan Schneider, Benjamin D Sellers, Chenghua Shao, Elizabeth Sourial, Chris I Williams, Christopher J Williams, Ying Yang, Venkat Abbaraju, Pavel V Afonine, Matthew L Baker, Paul S Bond, Thomas L Blundell, Tom Burnley, Arthur Campbell, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Frank Dimaio, Reza Esmaeeli, Nabin Giri, Helmut Grubmüller, Soon Wen Hoh, Jie Hou, Corey F Hryc, Carola Hunte, Maxim Igaev, Agnel-Praveen Joseph, Wei-Chun Kao, Daisuke Kihara, Dilip Kumar, Lijun Lang, Sean Lin, Sai Raghavendra Maddhuri Venkata Subramaniya, Sumit Mittal, Arup Mondal, Nigel W Moriarty, Andrew Muenks, Garib N Murshudov, Robert A Nicholls, Mateusz Olek, Colin M Palmer, Alberto Perez, Emmi Pohjolainen, Karunakar R Pothula, Christopher N Rowley, Daipayan Sarkar, Luisa U Schäfer, Christopher J Schlicksup, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Oleg V Sobolev, Genki Terashi, Andrea C Vaiana, Sundeep C Vedithi, Jacob Verburgt, Xiao Wang, Rangana Warshamanage, Martyn David Winn, Simone Weyand, Keitaro Yamashita, Minglei Zhao, Michael F Schmid, Helen M Berman, Wah Chiu
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge. Nature methods (2024)
Haoming Wang, John W Vant, Youjun Wu, Richard G Sánchez, Mary Lauren Micou, Andrew Zhang, Vincent Luczak, Seungyoon Blenda Yu, Mirna Jabbo, Seokjun Yoon, Ahmed Abdallah Abushawish, Majid Ghassemian, Eric R Griffis, Marc Hammarlund, Abhishek Singharoy, Gulcin Pekkurnaz
Glycolytic Metabolon Assembly on Mitochondria via Hexokinase O-GlcNAcylation Promotes Metabolic Efficiency. bioRxiv : the preprint server for biology (2023)
David Chmielewski, Eric A Wilson, Grigore Pintilie, Peng Zhao, Muyuan Chen, Michael F Schmid, Graham Simmons, Lance L Wells, Jing Jin, Abhishek Singharoy, Wah Chiu
Structural insights into the modulation of coronavirus spike tilting and infectivity by hinge glycans. Nature communications 14 (1) (2023)
David Chmielewski, Eric A Wilson, Grigore Pintilie, Peng Zhao, Muyuan Chen, Michael F Schmid, Graham Simmons, Lance L Wells, Jing Jin, Abhishek Singharoy, Wah Chiu
Integrated analyses reveal a hinge glycan regulates coronavirus spike tilting and virus infectivity. Research square (2023)
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. Journal of chemical information and modeling (2023)
David Chmielewski, Eric A Wilson, Grigore Pintilie, Peng Zhao, Muyuan Chen, Michael F Schmid, Graham Simmons, Lance L Wells, Jing Jin, Abhishek Singharoy, Wah Chiu
Integrated analyses reveal a hinge glycan regulates coronavirus spike tilting and virus infectivity. Research square (2023)
John W Vant, Daipayan Sarkar, Jonathan Nguyen, Alexander T Baker, Josh Vincent Vermaas, Abhishek Singharoy
Exploring cryo-electron microscopy with molecular dynamics. Biochemical Society transactions 50 (1) (2022)
Mrinal Shekhar, Chitrak Gupta, Kano Suzuki, Chun Kit Chan, Takeshi Murata, Abhishek Singharoy
Revealing a Hidden Intermediate of Rotatory Catalysis with X-ray Crystallography and Molecular Simulations. ACS central science 8 (7) (2022)
Catherine L Lawson, Andriy Kryshtafovych, Paul D Adams, Pavel V Afonine, Matthew L Baker, Benjamin A Barad, Paul S Bond, Tom Burnley, Renzhi Cao, Jianlin Cheng, Grzegorz Chojnowski, Kathryn D Cowtan, Ken A Dill, Frank DiMaio, Daniel P Farrell, Brian K Shoichet, Mark A Herzik, Soon Wen Hoh, Jie Hou, Li-Wei Hung, Maxim Igaev, Agnel-Praveen Joseph, Daisuke Kihara, Dilip Kumar, Sumit Mittal, Bohdan Monastyrskyy, Mateusz Olek, Colin M Palmer, Ardan Patwardhan, Alberto Perez, Jonas Pfab, Grigore D Pintilie, Jane S Richardson, Peter B Rosenthal, Daipayan Sarkar, Luisa U Schäfer, Michael F Schmid, Gunnar F Schröder, Mrinal Shekhar, Dong Si, Abhishek Singharoy, Genki Terashi, Thomas C Terwilliger, Andrea C Vaiana, Liguo Wang, Zhe Wang, Stephanie A Wankowicz, Christopher J Williams, Martyn David Winn, Tianqi Wu, Xiaodi Yu, Kaiming Zhang, Helen M Berman, Wah Chiu
Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge. Nature methods 18 (2) (2021)
Alexander T Baker, Ryan J Boyd, Daipayan Sarkar, Alicia Teijeira-Crespo, Chun Kit Chan, Emily Bates, Kasim Waraich, John W Vant, Eric A Wilson, Chloe D Truong, Magdalena Lipka-Lloyd, Petra Fromme, Josh Vincent Vermaas, Dewight R Williams, LeeAnn Machiesky, Meike Heurich, Bolni M Nagalo, Lynda Coughlan, Scott Umlauf, Po-Lin Chiu, Pierre J Rizkallah, Taylor S Cohen, Alan L Parker, Abhishek Singharoy, Mitesh J Borad
ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome. Science advances 7 (49) (2021)
John W Vant, Daipayan Sarkar, Ellen Streitwieser, Giacomo Fiorin, Robert D Skeel, Josh Vincent Vermaas, Abhishek Singharoy
Data-guided Multi-Map variables for ensemble refinement of molecular movies. The Journal of chemical physics 153 (21) (2021)
Ghoncheh Mashayekhi, John W Vant, Abhishek Singharoy, Abbas Ourmazd
Energy Landscape of the SARS-CoV-2 Reveals Extensive Conformational Heterogeneity. bioRxiv : the preprint server for biology (2021)
Soung Hun Roh, Mrinal Shekhar, Grigore D Pintilie, Christophe J Chipot, Stephan Wilkens, Abhishek Singharoy, Wah Chiu
Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of Vo complex. Science advances 6 (41) (2020)
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. Journal of chemical information and modeling 60 (5) (2020)
Chitrak Gupta, Umesh Khaniya, Chun Kit Chan, Francois Dehez, Mrinal Shekhar, M R Gunner, Leonid Sazanov, Christophe J Chipot, Abhishek Singharoy
Charge Transfer and Chemo-Mechanical Coupling in Respiratory Complex I. Journal of the American Chemical Society 142 (20) (2020)
James C Phillips, David J Hardy, Julio D C Maia, John E Stone, João V Ribeiro, Rafael C Bernardi, Ronak Buch, Giacomo Fiorin, Jérôme Hénin, Wei Jiang, Ryan McGreevy, Marcelo Cardoso Dos Reis Melo, Brian K Radak, Robert D Skeel, Abhishek Singharoy, Yi Wang, Benoı T Roux, Aleksei Aksimentiev, Zaida Luthey-Schulten, Laxmikant V Kalé, Klaus Schulten, Christophe J Chipot, Emad Tajkhorshid
Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of chemical physics 153 (4) (2020)
Ali Dashti, Ghoncheh Mashayekhi, Mrinal Shekhar, Danya Ben Hail, Salah Salah, Peter Schwander, Amédée Des Georges, Abhishek Singharoy, Joachim Frank, Abbas Ourmazd
Retrieving functional pathways of biomolecules from single-particle snapshots. Nature communications 11 (1) (2020)