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Sergio Cruz-León
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Optimized magnesium force field parameters for biomolecular simulations with accurate solvation, ion-binding, and water-exchange properties
KK Grotz, S Cruz-León, N Schwierz
Journal of chemical theory and computation 17 (4), 2530-2540, 2021
372021
Twisting DNA by salt
S Cruz-León, W Vanderlinden, P Müller, T Forster, G Staudt, YY Lin, ...
Nucleic acids research 50 (10), 5726-5738, 2022
352022
Hofmeister series for metal-cation–RNA interactions: the interplay of binding affinity and exchange kinetics
S Cruz-León, N Schwierz
Langmuir 36 (21), 5979-5989, 2020
342020
Extended magnesium and calcium force field parameters for accurate ion–nucleic acid interactions in biomolecular simulations
S Cruz-León, KK Grotz, N Schwierz
The Journal of Chemical Physics 154 (17), 2021
262021
RNA captures more cations than DNA: insights from molecular dynamics simulations
S Cruz-León, N Schwierz
The Journal of Physical Chemistry B 126 (43), 8646-8654, 2022
182022
Coarse-grained double-stranded RNA model from quantum-mechanical calculations
S Cruz-León, A Vázquez-Mayagoitia, S Melchionna, N Schwierz, M Fyta
The Journal of Physical Chemistry B 122 (32), 7915-7928, 2018
92018
Binding energies of nucleobase complexes: Relevance to homology recognition of DNA
SC León, M Prentiss, M Fyta
Physical Review E 93 (6), 062410, 2016
62016
High-confidence 3D template matching for cryo-electron tomography
S Cruz-Leon, T Majtner, PC Hoffmann, JP Kreysing, MW Tuijtel, ...
bioRxiv, 2023.09. 05.556310, 2023
42023
MolecularWebXR: Multiuser discussions about chemistry and biology in immersive and inclusive VR
FJ Cortes Rodriguez, G Frattini, F Teixeira Pinto Meireles, DA Terrien, ...
bioRxiv, 2023.11. 01.564623, 2023
22023
RNA multiscale simulations as an interplay of electrostatic, mechanical properties, and structures inside viruses
S Cruz-León, S Assenza, S Poblete, HV Guzman
Physical Virology: From the State-of-the-Art Research to the Future of …, 2023
12023
High-confidence 3D template matching for cryo-electron tomography
S Cruz-Leon, T Majtner, P Hoffmann, JP Kreysing, MW Tuijtel, ...
Biophysical Journal 123 (3), 183a, 2024
2024
Nuclear pores as conduits for fluid flow during osmotic stress
PC Hoffmann, H Kim, A Obarska-Kosinska, JP Kreysing, ...
bioRxiv, 2024.01. 17.575985, 2024
2024
Metal Cations and Nucleic Acids: Accurate Force Fields and Atomistic Insights from Molecular Dynamics Simulations
S Cruz-León
Fachbereich Biochemie, Chemie und Pharmazie, Johann Wolfgang Goethe …, 2022
2022
Supporting Information: Twisting DNA by Salt
S Cruz-León, W Vanderlinden, P Müller, T Forster, G Staudt, YY Lin, ...
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Articles 1–14