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6 results in Authors: Lars V. Schafer

Theoretical and Computational Chemistry

Predicting NMR Relaxation of Proteins from Molecular Dynamics Simulations with Accurate Methyl Rotation Barriers

Falk Hoffmann, Frans Mulder, Lars V. Schäfer

Version 5 posted 27 January 2020

1,740

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Theoretical and Computational Chemistry

Capturing the Flexibility of a Protein-Ligand Complex: Binding Free Energies from Different Enhanced Sampling Techniques

Sebastian Wingbermühle, Lars V. Schäfer

Version 3 posted 21 May 2020

1,299

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Theoretical and Computational Chemistry

Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations

Ahmed A. A. I. Ali, Falk Hoffmann, Lars V. Schäfer, Frans A. A. Mulder

Version 2 posted 08 September 2022

283

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Theoretical and Computational Chemistry

How much entropy is contained in NMR relaxation parameters?

Falk Hoffmann, Frans A. A. Mulder, Lars V. Schäfer

Version 2 posted 25 November 2021

519

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1

Citations

Physical Chemistry

Entropic Tug-of-War Determines Solvent Effects in the Liquid–Liquid Phase Separation of a Globular Protein

Saumyak Mukherjee, Sashary Ramos, Simone Pezzotti, Abhishek Kalarikkal, Tobias M. Prass, Laura Galazzo, Enrica Bordignon, Martina Havenith, Lars V. Schafer

Version 1 posted 26 September 2023

411

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Physical Chemistry

Theoretical Evaluation of Radii of Atoms in Molecules and their Dependence on Atomic Partial Charge

Amin Alibakhshi, Lars V. Schäfer

Version 1 posted 16 May 2024

18

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