Lone Pair…π Contacts and Structure Signatures of r(UNCG) Tetraloops, Z-Turns, and Z-Steps: A WebFR3D Survey von Zirbel, Craig L., Auffinger, Pascal

Volltext

Spontaneous Formation of KCl Aggregates in Biomolecular Simulations: A Force Field Issue? von Auffinger, Pascal, Cheatham, Thomas E, Vaiana, Andrea C

Volltext

Mg2+ ions: do they bind to nucleobase nitrogens? von Leonarski, Filip, D'Ascenzo, Luigi, Auffinger, Pascal

Volltext

Silver-wired DNA von Auffinger, Pascal, Ennifar, Eric

Volltext

Nucleobase carbonyl groups are poor Mg2+ inner-sphere binders but excellent monovalent ion binders-a critical PDB survey von Leonarski, Filip, D'Ascenzo, Luigi, Auffinger, Pascal

Volltext

Nucleic acid solvation: from outside to insight von Auffinger, Pascal, Hashem, Yaser

Volltext

Short but Weak: The Z‐DNA Lone‐Pair⋅⋅⋅π Conundrum Challenges Standard Carbon Van der Waals Radii von Kruse, Holger, Mrazikova, Klaudia, D'Ascenzo, Luigi, Sponer, Jiri, Auffinger, Pascal

Volltext

Short but Weak: The Z-DNA Lone-Pair center dot center dot center dot pi Conundrum Challenges Standard Carbon Van der Waals Radii von Kruse, Holger, Mrazikova, Klaudia, D'Ascenzo, Luigi, Sponer, Jiri, Auffinger, Pascal

Volltext

Deflating the RNA Mg 2+ bubble: stereochemistry to the rescue von Auffinger, Pascal, Ennifar, Eric, D'Ascenzo, Luigi

Volltext

A short guide for molecular dynamics simulations of RNA systems von Hashem, Yaser, Auffinger, Pascal

Volltext

Hydrophobic Groups Stabilize the Hydration Shell of 2′-O-Methylated RNA Duplexes von Auffinger, Pascal, Westhof, Eric

Volltext

Comment on “Evaluating Unexpectedly Short Non-covalent Distances in X‑ray Crystal Structures of Proteins with Electronic Structure Analysis” von Kruse, Holger, Sponer, Jiri, Auffinger, Pascal

Volltext

Multiscale Modelling of Phosphate…π Contacts in RNA U-turns Exposes Differences Between Quantum-ChemicalM and AMBER Force Field Descriptions von Mráziková, Klaudia, Kruse, Holger, Mlýnský, Vojtěch, Auffinger, Pascal, Sponer, Jirí

Volltext

RNA and RNA-protein complexes Principles of ion binding to RNA inferred from the analysis of a 1.55 Å resolution bacterial ribosome structure - Part I: Mg2 von Leonarski, Filip, Henning-Knechtel, Anja, Kirmizialtin, Serdal, Ennifar, Eric, Auffinger, Pascal

Volltext

Multiscale Modeling of Phosphate···π Contacts in RNA U‑Turns Exposes Differences between Quantum-Chemical and AMBER Force Field Descriptions von Mráziková, Klaudia, Kruse, Holger, Mlýnský, Vojtěch, Auffinger, Pascal, Šponer, Jiří

Volltext

Mg 2+ ions: do they bind to nucleobase nitrogens? von Leonarski, Filip, D'Ascenzo, Luigi, Auffinger, Pascal

Volltext

Short-Range Imbalances in the AMBER Lennard-Jones Potential for (Deoxy)Ribose···Nucleobase Lone-Pair···π Contacts in Nucleic Acids von Mráziková, Klaudia, Šponer, Jiří, Mlýnský, Vojtěch, Auffinger, Pascal, Kruse, Holger

Volltext

Anions in Nucleic Acid Crystallography von D’Ascenzo, Luigi, Auffinger, Pascal

Volltext

Deflating the RNA Mg 2+ bubble. Stereochemistry to the rescue von Auffinger, Pascal, Ennifar, Eric, D'Ascenzo, Luigi

Volltext

RNA dynamics from experimental and computational approaches von Bussi, Giovanni, Bonomi, Massimiliano, Gkeka, Paraskevi, Sattler, Michael, Al-Hashimi, Hashim M., Auffinger, Pascal, Duca, Maria, Foricher, Yann, Incarnato, Danny, Jones, Alisha N., Kirmizialtin, Serdal, Krepl, Miroslav, Orozco, Modesto, Palermo, Giulia, Pasquali, Samuela, Salmon, Loïc, Schwalbe, Harald, Westhof, Eric, Zacharias, Martin

Volltext