Helmut Grubmüller

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 46

Top Topics

Molecular Dynamics Simulations

Respiratory Syndrome Coronavirus

Protein Protein

Top Venues

Journal of chemical theory and computation

Proceedings of the National Academy of Sciences of the United States of America

Research square

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

Publications

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)
Gabor Nagy, Søren Vrønning Hoffmann, Nykola C Jones, Helmut Grubmüller
Reference Data Set for Circular Dichroism Spectroscopy Comprised of Validated Intrinsically Disordered Protein Models. Applied spectroscopy (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 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)
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)
Leonard P Heinz, Helmut Grubmüller
Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim's Theorem. Journal of chemical theory and computation (2023)
Michał Badocha, Miłosz Wieczór, Antoni Marciniak, Cyprian Kleist, Helmut Grubmüller, Jacek Czub
Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Helge Paternoga, Caillan Crowe-McAuliffe, Lars V Bock, Timm O Koller, Martino Morici, Bertrand Beckert, Alexander G Myasnikov, Helmut Grubmüller, Jiri Novacek, Daniel N Wilson
Structural conservation of antibiotic interaction with ribosomes. Nature structural & molecular biology (2023)
Michał Badocha, Miłosz Wieczór, Antoni Marciniak, Cyprian Kleist, Helmut Grubmüller, Jacek Czub
Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Michał Badocha, Miłosz Wieczór, Antoni Marciniak, Cyprian Kleist, Helmut Grubmüller, Jacek Czub
Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Yangang Pan, Emmi Pohjolainen, Philipp A M Schmidpeter, Andrea C Vaiana, Crina M Nimigean, Helmut Grubmüller, Simon Scheuring
Discrimination between cyclic nucleotides in a cyclic nucleotide-gated ion channel. Nature structural & molecular biology (2023)
Aharon Gomez, Tobias J Erb, Helmut Grubmüller, Esteban Vöhringer-Martinez
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO 2 Fixation. Journal of chemical information and modeling (2023)
Michał Badocha, Miłosz Wieczór, Antoni Marciniak, Cyprian Kleist, Helmut Grubmüller, Jacek Czub
Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Nicolai Kozlowski, Helmut Grubmüller
Uncertainties in Markov State Models of Small Proteins. Journal of chemical theory and computation (2023)
Hasan DeMirci, Yashas Rao, Gabriele M Stoffel, Bastian Vögeli, Kristina Schell, Aharon Gomez, Alexander Batyuk, Cornelius Gati, Raymond G Sierra, Mark S Hunter, E Han Dao, Halil I Ciftci, Brandon Hayes, Fredric Poitevin, Po-Nan Li, Manat Kaur, Kensuke Tono, David Adrian Saez, Samuel Deutsch, Yasuo Yoshikuni, Helmut Grubmüller, Tobias J Erb, Esteban Vöhringer-Martinez, Soichi Wakatsuki
Intersubunit Coupling Enables Fast CO 2 -Fixation by Reductive Carboxylases. ACS central science 8 (8) (2022)
Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller, Bert L de Groot, Vytautas Gapsys
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design. Journal of chemical information and modeling 62 (7) (2022)
Maxim Igaev, Helmut Grubmüller
Bending-torsional elasticity and energetics of the plus-end microtubule tip. Proceedings of the National Academy of Sciences of the United States of America 119 (12) (2022)
Lars V Bock, Helmut Grubmüller
Effects of cryo-EM cooling on structural ensembles. Nature communications 13 (1) (2022)
Tobias Hett, Tobias Zbik, Shatanik Mukherjee, Hideto Matsuoka, Wolfgang Bönigk, Daniel Klose, Christophe Rouillon, Norbert Brenner, Sebastian Peuker, Reinhard Klement, Heinz-Jürgen Steinhoff, Helmut Grubmüller, Reinhard Seifert, Olav Schiemann, U Benjamin Kaupp
Spatiotemporal Resolution of Conformational Changes in Biomolecules by Combining Pulsed Electron-Electron Double Resonance Spectroscopy with Microsecond Freeze-Hyperquenching. Journal of the American Chemical Society 143 (18) (2021)
Leonard P Heinz, Helmut Grubmüller
Per|Mut: Spatially Resolved Hydration Entropies from Atomistic Simulations. Journal of chemical theory and computation 17 (4) (2021)
Agata Witkowska, Leonard P Heinz, Helmut Grubmüller, Reinhard Jahn
Tight docking of membranes before fusion represents a metastable state with unique properties. Nature communications 12 (1) (2021)
Steffen Schultze, Helmut Grubmüller
Time-Lagged Independent Component Analysis of Random Walks and Protein Dynamics. Journal of chemical theory and computation 17 (9) (2021)
Bertrand Beckert, Elodie C Leroy, Shanmugapriya Sothiselvam, Lars V Bock, Maxim S Svetlov, Michael Graf, Stefan Arenz, Maha Abdelshahid, Britta Seip, Helmut Grubmüller, Alexander S Mankin, C Axel Innis, Nora Vazquez-Laslop, Daniel N Wilson
Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics. Nature communications 12 (1) (2021)
Floris P Buelens, Hadas Leonov, Bert L de Groot, Helmut Grubmüller
ATP-Magnesium Coordination: Protein Structure-Based Force Field Evaluation and Corrections. Journal of chemical theory and computation 17 (3) (2021)
Maxim Igaev, Helmut Grubmüller
Microtubule instability driven by longitudinal and lateral strain propagation. PLoS computational biology 16 (9) (2020)
Martin Reinhardt, Helmut Grubmüller
Determining Free-Energy Differences Through Variationally Derived Intermediates. Journal of chemical theory and computation 16 (6) (2020)
Gabor Nagy, Helmut Grubmüller
How accurate is circular dichroism-based model validation? European biophysics journal : EBJ 49 (6) (2020)
Plamen Dobrev, Sahithya Phani Babu Vemulapalli, Nilamoni Nath, Christian Griesinger, Helmut Grubmüller
Probing the Accuracy of Explicit Solvent Constant pH Molecular Dynamics Simulations for Peptides. Journal of chemical theory and computation 16 (4) (2020)
Plamen Dobrev, Sahithya Phani Babu Vemulapalli, Nilamoni Nath, Christian Griesinger, Gerrit Groenhof, Helmut Grubmüller
Correction to "Probing the Accuracy of Explicit Solvent Constant pH Molecular Dynamics Simulations for Peptides". Journal of chemical theory and computation 16 (7) (2020)
Bartosz Kohnke, Carsten Kutzner, Helmut Grubmüller
A GPU-Accelerated Fast Multipole Method for GROMACS: Performance and Accuracy. Journal of chemical theory and computation 16 (11) (2020)
Leonard P Heinz, Helmut Grubmüller
Computing Spatially Resolved Rotational Hydration Entropies from Atomistic Simulations. Journal of chemical theory and computation 16 (1) (2019)
Gabor Nagy, Maxim Igaev, Nykola C Jones, Søren Vrønning Hoffmann, Helmut Grubmüller
SESCA: Predicting Circular Dichroism Spectra from Protein Molecular Structures. Journal of chemical theory and computation 15 (9) (2019)
Lars V Bock, Neva Caliskan, Natalia Korniy, Frank Peske, Marina V Rodnina, Helmut Grubmüller
Thermodynamic control of -1 programmed ribosomal frameshifting. Nature communications 10 (1) (2019)
Felix Rico, Andreas Russek, Laura González, Helmut Grubmüller, Simon Scheuring
Heterogeneous and rate-dependent streptavidin-biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations. Proceedings of the National Academy of Sciences of the United States of America 116 (14) (2019)
Maxim Igaev, Carsten Kutzner, Lars V Bock, Andrea C Vaiana, Helmut Grubmüller
Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife 8 (2019)
Mark Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M J J Bonvin, Matthieu Chavent, John D Chodera, Karmen Čondić-Jurkić, Lucie Delemotte, Helmut Grubmüller, Rebecca J Howard, E Joseph Jordan, Erik Lindahl, O H Samuli Ollila, Jana Selent, Daniel G A Smith, Phillip J Stansfeld, Johanna K S Tiemann, Mikael Trellet, Christopher Woods, Artem Zhmurov
Sharing Data from Molecular Simulations. Journal of chemical information and modeling 59 (10) (2019)
Bee-Zen Peng, Lars V Bock, Riccardo Belardinelli, Frank Peske, Helmut Grubmüller, Marina V Rodnina
Active role of elongation factor G in maintaining the mRNA reading frame during translation. Science advances 5 (12) (2019)
Maxim Igaev, Helmut Grubmüller
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife 7 (2018)
Timo Graen, Reinhard Klement, Asaf Grupi, Elisha Haas, Helmut Grubmüller
Transient Secondary and Tertiary Structure Formation Kinetics in the Intrinsically Disordered State of α-Synuclein from Atomistic Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (19) (2018)
Patricia Bassereau, Rui Jin, Tobias Baumgart, Markus Deserno, Rumiana Dimova, Vadim A Frolov, Pavel V Bashkirov, Helmut Grubmüller, Reinhard Jahn, Herre Jelger Risselada, Ludger Johannes, Michael M Kozlov, Reinhard Lipowsky, Thomas J Pucadyil, Wade F Zeno, Jeanne C Stachowiak, Dimitrios Stamou, Artú Breuer, Line Lauritsen, Camille Simon, Cécile Sykes, Gregory A Voth, Thomas R Weikl
The 2018 biomembrane curvature and remodeling roadmap. Journal of physics D: Applied physics 51 (34) (2018)