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Helmut Grubmüller

max-planck institute for multidisciplinary sciences

84H-index
538Paper Count
3.4WCitation Count
Published Papers 221
Publication Date
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A minimal chemo-mechanical Markov model for rotary catalysis of F1-ATPase
errNature Communications
IF15.7
err2026-06-15
err0
errOAAI
errYixin Chen; Helmut Grubmüller
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Hierarchical multi-timescale structural dynamics of the disordered N-terminal of p53
errNature Communications
IF15.7
err2026-05-21
err0
errOAAI
errDániel Szöllősi; Supriya Pratihar; Dwaipayan Mukhopadhyay; Ashok Kumar Rout; Mookyoung Han; G. Jithender Reddy; Niklas Ebersberger; Stefan Becker; Gábor Nagy; Sarah Rauscher; Donghan Lee; Reinhard Klement; Christian Griesinger; Helmut Grubmüller
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Bimodal Peptide Collision Cross Section Distribution Reflects Two Stable Conformations in the Gas Phase
errJournal of Proteome Research
IF3.6
err2026-04-29
err0
errOAAI
errJuan Restrepo; Daniel Szoelloesi; Tobias Kiermeyer; Christoph Wichmann; Helmut Grubmüller; Jürgen Cox
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Improving Conformational Ensembles of Folded Proteins in Go̅Martini
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-25
err0
errOAAI
errMaksim Kalutskii; Carter J. Wilson; Helmut Grubmüller; Maxim Igaev
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Braess’ Paradox in Enzyme Kinetics: Asymmetry from Population Balance without Direct Cooperativity
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-04
err0
errOAAI
errMalte Schäffner; Colin A. Smith; Robert Tampé; Helmut Grubmüller
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Stochastic algorithms for large-scale composite optimization: the case of likelihood maximization for X-FEL imaging
errMathematical Programming
IF2.5
err2026-01-01
err0
errOAAI
errLuke, D. Russell; Schultze, Steffen; Grubmuller, Helmut
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Large Data Set Analysis Reveals Structural Origin of Peptide Collisional Cross Section Bimodal Behavior
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2025-12-01
err0
PREAI
errXu, Allyn M.; Szollosi, Daniel; Grubmuller, Helmut; Regev, Oded
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Structure and function of otoferlin; a synaptic protein of sensory hair cells essential for hearing
errScience Advances
IF12.5
err2025-10-15
err0
PREAI
errHan Chen; Constantin Cretu; Abigail Trebilcock; Natalia Evdokimova; Norbert Babai; Laura Feldmann; Florian Leidner; Fritz Benseler; Sophia Mutschall; Klara Esch; Csaba Zoltan Kibedi Szabo; Vladimir Pena; Constantin Pape; Helmut Grubmüller; Nicola Strenzke; Nils Brose; Carolin Wichmann; Julia Preobraschenski; Tobias Moser
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UBE2J2 sensitizes the ERAD ubiquitination cascade to changes in membrane lipid saturation
errNature Communications
IF15.7
err2025-10-09
err0
errOAAI
errAikaterini Vrentzou; Florian Leidner; Claudia C. Schmidt; Helmut Grubmüller; Alexander Stein
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Transient non-local interactions dominate the dynamics of measles virus NTAIL
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2025-10-06
err0
errOAAI
errOtteson, Lillian; Nagy, Gabor; Kunkel, John; Kodis, Gerdenis; Bock, Lars V.; Bignon, Christophe; Longhi, Sonia; Zheng, Wenwei; Grubmuller, Helmut; Vaiana, Andrea C.; Vaiana, Sara M.
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Inside Front Cover: Is a Malleable Active Site Loop the Key to High Substrate Promiscuity? Hybrid, Biocatalytic Route to Structurally Diverse Taxoid Side Chains with Remarkable Dual Stereocontrol
errAngewandte Chemie International Edition
IF0
err2025-08-21
err0
PREAI
errGaurav P. Kudalkar; Florian Leidner; Nivesh Kumar; Jared L. Hass; Peter Madzelan; Douglas R. Powell; Victor W. Day; Pierre Le Magueres; Joseph D. Ferrara; Lee M. Daniels; Akihito Yamano; Sho Ito; Wei Niu; Helmut Grubmüller; Mark A. Wilson; David B. Berkowitz
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Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-02-13
err0
errOAAI
errKutzner, Carsten; Miletic, Vedran; Rodriguez, Karen Palacio; Rampp, Markus; Hummer, Gerhard; de Groot, Bert L.; Grubmueller, Helmut
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Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-07
err0
errOAAI
errBriand, Eliane; Kohnke, Bartosz; Kutzner, Carsten; Grubmueller, Helmut
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Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-07
err0
errOAAI
errKohnke, Bartosz; Briand, Eliane; Kutzner, Carsten; Grubmueller, Helmut
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errSave
Determinants of chemoselectivity in ubiquitination by the J2 family of ubiquitin-conjugating enzymes
errEMBO JOURNAL
IF8.3
err2024-11-12
err0
PREAI
errSwarnkar, Anuruti; Leidner, Florian; Rout, Ashok K.; Ainatzi, Sofia; Schmidt, Claudia C.; Becker, Stefan; Urlaub, Henning; Griesinger, Christian; Grubmueller, Helmut; Stein, Alexander
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Bayesian electron density determination from sparse and noisy single-molecule X-ray scattering images
errSCIENCE ADVANCES
IF12.5
err2024-10-25
err0
errOAAI
errSchultze, Steffen; Grubmueller, Helmut
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Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge
errNATURE METHODS
IF32.1
err2024-06-25
err1
errOAAI
errLawson, Catherine L.; Kryshtafovych, Andriy; Pintilie, Grigore D.; Burley, Stephen K.; Cerny, Jiri; Chen, Vincent B.; Emsley, Paul; Gobbi, Alberto; Joachimiak, Andrzej; Noreng, Sigrid; Prisant, Michael G.; Read, Randy J.; Richardson, Jane S.; Rohou, Alexis L.; Schneider, Bohdan; Sellers, Benjamin D.; Shao, Chenghua; Sourial, Elizabeth; Williams, Chris I.; Williams, Christopher J.; Yang, Ying; Abbaraju, Venkat; Afonine, Pavel V.; Baker, Matthew L.; Bond, Paul S.; Blundell, Tom L.; Burnley, Tom; Campbell, Arthur; Cao, Renzhi; Cheng, Jianlin; Chojnowski, Grzegorz; Cowtan, K. D.; DiMaio, Frank; Esmaeeli, Reza; Giri, Nabin; Grubmueller, Helmut; Hoh, Soon Wen; Hou, Jie; Hryc, Corey F.; Hunte, Carola; Igaev, Maxim; Joseph, Agnel P.; Kao, Wei-Chun; Kihara, Daisuke; Kumar, Dilip; Lang, Lijun; Lin, Sean; Subramaniya, Sai R. Maddhuri Venkata; Mittal, Sumit; Mondal, Arup; Moriarty, Nigel W.; Muenks, Andrew; Murshudov, Garib N.; Nicholls, Robert A.; Olek, Mateusz; Palmer, Colin M.; Perez, Alberto; Pohjolainen, Emmi; Pothula, Karunakar R.; Rowley, Christopher N.; Sarkar, Daipayan; Schaefer, Luisa U.; Schlicksup, Christopher J.; Schroeder, Gunnar F.; Shekhar, Mrinal; Si, Dong; Singharoy, Abhishek; Sobolev, Oleg V.; Terashi, Genki; Vaiana, Andrea C.; Vedithi, Sundeep C.; Verburgt, Jacob; Wang, Xiao; Warshamanage, Rangana; Winn, Martyn D.; Weyand, Simone; Yamashita, Keitaro; Zhao, Minglei; Schmid, Michael F.; Berman, Helen M.; Chiu, Wah
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Single-particle Cryo-EM and molecular dynamics simulations: A perfect match
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-06-01
err5
errOAAI
errBock, Lars, V; Igaev, Maxim; Grubmueller, Helmut
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Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88
errNATURE COMMUNICATIONS
IF15.7
err2024-05-10
err1
errOAAI
errLauer, Simon M.; Reepmeyer, Maren; Berendes, Ole; Klepacki, Dorota; Gasse, Jakob; Gabrielli, Sara; Grubmueller, Helmut; Bock, Lars V.; Krizsan, Andor; Nikolay, Rainer; Spahn, Christian M. T.; Hoffmann, Ralf
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Infrared spectroscopy reveals metal-independent carbonic anhydrase activity in crotonyl-CoA carboxylase/reductase
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err2
errOAAI
errGomez, Aharon; Tinzl, Matthias; Stoffel, Gabriele; Westedt, Hendrik; Grubmueller, Helmut; Erb, Tobias J.; Vohringer-Martinez, Esteban; Stripp, Sven T.
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Research Directions

No research directions
Co-authors
Cooperation Journals
S
Stefan W. Hell
H-index: 137 · Papers: 729
R
Reinhard Jahn
H-index: 132 · Papers: 536
G
Gregory A. Voth
H-index: 114 · Papers: 985
T
Tom L. Blundell
H-index: 112 · Papers: 736
A
Andreas Ziegler
H-index: 111 · Papers: 978
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