Lars V Schäfer

Loop profile Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 49

Top Topics

Molecular Dynamics Simulations

Crystal Structure

Protein Protein

Top Venues

The journal of physical chemistry letters

Nature communications

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

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

Publications

Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M Prass, Laura Galazzo, Dominik Gendreizig, Natercia Barbosa, Enrica Bordignon, Martina Havenith, Lars V Schäfer
Entropy Tug-of-War Determines Solvent Effects in the Liquid-Liquid Phase Separation of a Globular Protein. The journal of physical chemistry letters 15 (15) (2024)
Amin Alibakhshi, Lars V Schäfer
Electron iso-density surfaces provide a thermodynamically consistent representation of atomic and molecular surfaces. Nature communications 15 (1) (2024)
Amin Alibakhshi, Lars V Schäfer
Electron iso-density surfaces provide a thermodynamically consistent representation of atomic and molecular surfaces. Nature communications 15 (1) (2024)
Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M Prass, Laura Galazzo, Dominik Gendreizig, Natercia Barbosa, Enrica Bordignon, Martina Havenith, Lars V Schäfer
Entropy Tug-of-War Determines Solvent Effects in the Liquid-Liquid Phase Separation of a Globular Protein. The journal of physical chemistry letters 15 (15) (2024)
Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M Prass, Laura Galazzo, Dominik Gendreizig, Natercia Barbosa, Enrica Bordignon, Martina Havenith, Lars V Schäfer
Entropy Tug-of-War Determines Solvent Effects in the Liquid-Liquid Phase Separation of a Globular Protein. The journal of physical chemistry letters 15 (15) (2024)
Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M Prass, Laura Galazzo, Dominik Gendreizig, Natercia Barbosa, Enrica Bordignon, Martina Havenith, Lars V Schäfer
Entropy Tug-of-War Determines Solvent Effects in the Liquid-Liquid Phase Separation of a Globular Protein. The journal of physical chemistry letters (2024)
Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M Prass, Laura Galazzo, Dominik Gendreizig, Natercia Barbosa, Enrica Bordignon, Martina Havenith, Lars V Schäfer
Entropy Tug-of-War Determines Solvent Effects in the Liquid-Liquid Phase Separation of a Globular Protein. The journal of physical chemistry letters 15 (15) (2024)
Amin Alibakhshi, Lars V Schäfer
Electron iso-density surfaces provide a thermodynamically consistent representation of atomic and molecular surfaces. Nature communications 15 (1) (2024)
Amin Alibakhshi, Lars V Schäfer
On the Theoretical Quantification of Radii of Atoms in Molecules. The journal of physical chemistry. A 128 (32) (2024)
Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M Prass, Laura Galazzo, Dominik Gendreizig, Natercia Barbosa, Enrica Bordignon, Martina Havenith, Lars V Schäfer
Entropy Tug-of-War Determines Solvent Effects in the Liquid-Liquid Phase Separation of a Globular Protein. The journal of physical chemistry letters 15 (15) (2024)
Amin Alibakhshi, Lars V Schäfer
On the Theoretical Quantification of Radii of Atoms in Molecules. The journal of physical chemistry. A (2024)
Veronika Juraskova, Gers Tusha, Hanwen Zhang, Lars V Schäfer, Fernanda Duarte
Modelling ligand exchange in metal complexes with machine learning potentials. Faraday discussions (2024)
Saumyak Mukherjee, Lars V Schäfer
Thermodynamic forces from protein and water govern condensate formation of an intrinsically disordered protein domain. Nature communications 14 (1) (2023)
Himanshu Singh, Chandan K Das, Benjamin C Buchmuller, Lars V Schäfer, Daniel Summerer, Rasmus Linser
Epigenetic CpG duplex marks probed by an evolved DNA reader via a well-tempered conformational plasticity. Nucleic acids research (2023)
Selina Juber, Lars V Schäfer
Dynamics of organophosphate guest encapsulation in heteroleptic coordination cages. Physical chemistry chemical physics : PCCP (2023)
Laura Charlotte Paweletz, Simon L Holtbrügge, Malina Löb, Dario De Vecchis, Lars V Schäfer, Thomas Günther Pomorski, Bo Højen Justesen
Anionic Phospholipids Stimulate the Proton Pumping Activity of the Plant Plasma Membrane P-Type H + -ATPase. International journal of molecular sciences 24 (17) (2023)
Benedikt Söldner, Kristof Grohe, Peter Neidig, Jelena Auch, Sebastian Blach, Alexander Klein, Suresh K Vasa, Lars V Schäfer, Rasmus Linser
Integrated Assessment of the Structure and Dynamics of Solid Proteins. The journal of physical chemistry letters (2023)
Benedikt Söldner, Kristof Grohe, Peter Neidig, Jelena Auch, Sebastian Blach, Alexander Klein, Suresh K Vasa, Lars V Schäfer, Rasmus Linser
Integrated Assessment of the Structure and Dynamics of Solid Proteins. The journal of physical chemistry letters 14 (7) (2023)
Sille Remm, Dario De Vecchis, Jendrik Schöppe, Cedric A J Hutter, Imre Gonda, Michael Hohl, Simon Newstead, Lars V Schäfer, Markus A Seeger
Structural basis for triacylglyceride extraction from mycobacterial inner membrane by MFS transporter Rv1410. Nature communications 14 (1) (2023)
Benedikt Söldner, Kristof Grohe, Peter Neidig, Jelena Auch, Sebastian Blach, Alexander Klein, Suresh K Vasa, Lars V Schäfer, Rasmus Linser
Integrated Assessment of the Structure and Dynamics of Solid Proteins. The journal of physical chemistry letters 14 (7) (2023)
Tobias M Prass, Patrick Garidel, Michaela Blech, Lars V Schäfer
Viscosity Prediction of High-Concentration Antibody Solutions with Atomistic Simulations. Journal of chemical information and modeling (2023)
Ahmed A A I Ali, Falk Hoffmann, Lars V Schäfer, Frans A A Mulder
Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations. Journal of chemical theory and computation (2022)
Hong-Guen Lee, Avinash Dhamija, Chandan Kumar Das, Kyeng Min Park, Young Tae Chang, Lars V Schäfer, Kimoon Kim
Synthetic Monosaccharide Channels: Size-Selective Transmembrane Transport of Glucose and Fructose Mediated by Porphyrin Boxes. Angewandte Chemie (International ed. in English) (2022)
Andreas Rutz, Chandan Kumar Das, Andrea Fasano, Jan Jaenecke, Shanika Yadav, Ulf-Peter Apfel, Vera Engelbrecht, Vincent Fourmond, Christophe Léger, Lars V Schäfer, Thomas Happe
Increasing the O 2 Resistance of the [FeFe]-Hydrogenase CbA5H through Enhanced Protein Flexibility. ACS catalysis 13 (2) (2022)
André Platzek, Selina Juber, Cem Yurtseven, Shota Hasegawa, Laura Schneider, Christoph Drechsler, Kristina E Ebbert, Robin Rudolf, Qian-Qian Yan, Julian J Holstein, Lars V Schäfer, Guido H Clever
Endohedrally Functionalized Heteroleptic Coordination Cages for Phosphate Ester Binding. Angewandte Chemie (International ed. in English) 61 (47) (2022)
Saumyak Mukherjee, Lars V Schäfer
Spatially Resolved Hydration Thermodynamics in Biomolecular Systems. The journal of physical chemistry. B 126 (20) (2022)
Luisa Weirich, Gers Tusha, Elric Engelage, Lars V Schäfer, Christian Merten
VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations. Physical chemistry chemical physics : PCCP 24 (19) (2022)
Laura Galazzo, Gianmarco Meier, Dovile Januliene, Kristian Parey, Dario De Vecchis, Bianca Striednig, Hubert Hilbi, Lars V Schäfer, Ilya Kuprov, Arne Moeller, Enrica Bordignon, Markus A Seeger
The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Science advances 8 (41) (2022)
Sebastian Wingbermühle, Lars V Schäfer
Partial peptide dissociation and binding groove plasticity in two major histocompatibility complex class I alleles - differences between alleles versus force field and sampling effects. RSC advances 12 (46) (2022)
Kevin Artmann, Ru-Jin Li, Selina Juber, Elie Benchimol, Lars V Schäfer, Guido H Clever, Patrick Nuernberger
Steering the Ultrafast Opening and Closure Dynamics of a Photochromic Coordination Cage by Guest Molecules. Angewandte Chemie (International ed. in English) 61 (49) (2022)
Andreas Rutz, Chandan Kumar Das, Andrea Fasano, Jan Jaenecke, Shanika Yadav, Ulf-Peter Apfel, Vera Engelbrecht, Vincent Fourmond, Christophe Léger, Lars V Schäfer, Thomas Happe
Increasing the O 2 Resistance of the [FeFe]-Hydrogenase CbA5H through Enhanced Protein Flexibility. ACS catalysis 13 (2) (2022)
Christopher Päslack, Lars V Schäfer, Matthias Heyden
Protein flexibility reduces solvent-mediated friction barriers of ligand binding to a hydrophobic surface patch. Physical chemistry chemical physics : PCCP 23 (9) (2021)
Falk Hoffmann, Frans A A Mulder, Lars V Schäfer
How Much Entropy Is Contained in NMR Relaxation Parameters? The journal of physical chemistry. B 126 (1) (2021)
Christopher Päslack, Chandan Kumar Das, Jürgen Schlitter, Lars V Schäfer
Spectrally Resolved Estimation of Water Entropy in the Active Site of Human Carbonic Anhydrase II. Journal of chemical theory and computation 17 (8) (2021)
Hendrik Göddeke, Lars V Schäfer
Capturing Substrate Translocation in an ABC Exporter at the Atomic Level. Journal of the American Chemical Society 142 (29) (2020)
Himanshu Singh, Chandan K Das, Suresh K Vasa, Kristof Grohe, Lars V Schäfer, Rasmus Linser
The Active Site of a Prototypical "Rigid" Drug Target is Marked by Extensive Conformational Dynamics. Angewandte Chemie (International ed. in English) 59 (51) (2020)
Falk Hoffmann, Frans A A Mulder, Lars V Schäfer
Predicting NMR relaxation of proteins from molecular dynamics simulations with accurate methyl rotation barriers. The Journal of chemical physics 152 (8) (2020)
Srinivasa M Gopal, Sebastian Wingbermühle, Jan Schnatwinkel, Selina Juber, Christian Herrmann, Lars V Schäfer
Conformational Preferences of an Intrinsically Disordered Protein Domain: A Case Study for Modern Force Fields. The journal of physical chemistry. B 125 (1) (2020)
Olivier Fisette, Gunnar F Schröder, Lars V Schäfer
Atomistic structure and dynamics of the human MHC-I peptide-loading complex. Proceedings of the National Academy of Sciences of the United States of America 117 (34) (2020)
Sebastian Wingbermühle, Lars V Schäfer
Capturing the Flexibility of a Protein-Ligand Complex: Binding Free Energies from Different Enhanced Sampling Techniques. Journal of chemical theory and computation 16 (7) (2020)
Cedric A J Hutter, M Hadi Timachi, Lea M Hürlimann, Iwan Zimmermann, Pascal Egloff, Hendrik Göddeke, Svetlana Kucher, Saša Štefanić, Jonathan F Lovell, Lars V Schäfer, Enrica Bordignon, Markus A Seeger
The extracellular gate shapes the energy profile of an ABC exporter. Nature communications 10 (1) (2019)
Sebastian Wingbermühle, Lars V Schäfer
On Obtaining Boltzmann-Distributed Configurational Ensembles from Expanded Ensemble Simulations with Fast State Mixing. Journal of chemical theory and computation 15 (5) (2019)
Himanshu Singh, Suresh K Vasa, Harish Jangra, Petra Rovó, Christopher Päslack, Chandan K Das, Hendrik Zipse, Lars V Schäfer, Rasmus Linser
Fast Microsecond Dynamics of the Protein-Water Network in the Active Site of Human Carbonic Anhydrase II Studied by Solid-State NMR Spectroscopy. Journal of the American Chemical Society 141 (49) (2019)
Christopher Päslack, Lars V Schäfer, Matthias Heyden
Atomistic characterization of collective protein-water-membrane dynamics. Physical chemistry chemical physics : PCCP 21 (29) (2019)
Hendrik Göddeke, M Hadi Timachi, Cedric A J Hutter, Laura Galazzo, Markus A Seeger, Mikko Karttunen, Enrica Bordignon, Lars V Schäfer
Atomistic Mechanism of Large-Scale Conformational Transition in a Heterodimeric ABC Exporter. Journal of the American Chemical Society 140 (13) (2018)
Srinivasa M Gopal, Fabian Klumpers, Christian Herrmann, Lars V Schäfer
Solvent effects on ligand binding to a serine protease. Physical chemistry chemical physics : PCCP 19 (17) (2018)
Julian Michalowsky, Lars V Schäfer, Christian Holm, Jens Smiatek
A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions. The Journal of chemical physics 146 (5) (2018)
Falk Hoffmann, Frans A A Mulder, Lars V Schäfer
Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields. The journal of physical chemistry. B 122 (19) (2018)
Alexander B Kuhn, Sebastian Kube, Anne R Karow-Zwick, Daniel Seeliger, Patrick Garidel, Michaela Blech, Lars V Schäfer
Improved Solution-State Properties of Monoclonal Antibodies by Targeted Mutations. The journal of physical chemistry. B 121 (48) (2017)