Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber

por Mikhailovskii, Oleg, Xue, Yi, Skrynnikov, Nikolai R.
Publicado 2021

Simple MD-based model for oxidative folding of peptides and proteins

por Izmailov, Sergei A., Podkorytov, Ivan S., Skrynnikov, Nikolai R.
Publicado 2017

Simulating diffraction photographs based on molecular dynamics trajectories of a protein crystal: a new option to examine structure-solving strategies in protein crystallography

por Liu, Ning, Mikhailovskii, Oleg, Skrynnikov, Nikolai R., Xue, Yi
Publicado 2023

Origin of anti-tumor activity of the cysteine-containing GO peptides and further optimization of their cytotoxic properties

por Tyuryaeva, Irina I., Lyublinskaya, Olga G., Podkorytov, Ivan S., Skrynnikov, Nikolai R.
Publicado 2017

A new structural arrangement in proteins involving lysine NH(3)(+) group and carbonyl

por Rogacheva, Olga N., Izmailov, Sergei A., Slipchenko, Lyudmila V., Skrynnikov, Nikolai R.
Publicado 2017

Structural and dynamic origins of ESR lineshapes in spin-labeled GB1 domain: the insights from spin dynamics simulations based on long MD trajectories

por Izmailov, Sergei A., Rabdano, Sevastyan O., Hasanbasri, Zikri, Podkorytov, Ivan S., Saxena, Sunil, Skrynnikov, Nikolai R.
Publicado 2020

Onset of disorder and protein aggregation due to oxidation-induced intermolecular disulfide bonds: case study of RRM2 domain from TDP-43

por Rabdano, Sevastyan O., Izmailov, Sergei A., Luzik, Dmitrii A., Groves, Adam, Podkorytov, Ivan S., Skrynnikov, Nikolai R.
Publicado 2017

Molecular Dynamics model of peptide-protein conjugation: case study of covalent complex between Sos1 peptide and N-terminal SH3 domain from Grb2

por Luzik, Dmitrii A., Rogacheva, Olga N., Izmailov, Sergei A., Indeykina, Maria I., Kononikhin, Alexei S., Skrynnikov, Nikolai R.
Publicado 2019

Aromatic ring flips in differently packed ubiquitin protein crystals from MAS NMR and MD

por Gauto, Diego F., Lebedenko, Olga O., Becker, Lea Marie, Ayala, Isabel, Lichtenecker, Roman, Skrynnikov, Nikolai R., Schanda, Paul
Publicado 2022

Observing the overall rocking motion of a protein in a crystal

por Ma, Peixiang, Xue, Yi, Coquelle, Nicolas, Haller, Jens D., Yuwen, Tairan, Ayala, Isabel, Mikhailovskii, Oleg, Willbold, Dieter, Colletier, Jacques-Philippe, Skrynnikov, Nikolai R., Schanda, Paul
Publicado 2015

Slow conformational exchange and overall rocking motion in ubiquitin protein crystals

por Kurauskas, Vilius, Izmailov, Sergei A., Rogacheva, Olga N., Hessel, Audrey, Ayala, Isabel, Woodhouse, Joyce, Shilova, Anastasya, Xue, Yi, Yuwen, Tairan, Coquelle, Nicolas, Colletier, Jacques-Philippe, Skrynnikov, Nikolai R., Schanda, Paul
Publicado 2017