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Bond angles

Protein conformational transitions explored by a morphing approach based on normal mode analysis in internal coordinates

Byung Ho Lee, Soon Woo Park, Soojin Jo, Moon Ki Kim

Local topology and bifurcation hot-spots in proteins with SARS-CoV-2 spike protein as an example

Xubiao Peng, Antti J. Niemi

Structural coordinates: A novel approach to predict protein backbone conformation

Vladislava Milchevskaya, Alexei M. Nikitin, [ ... ], Yury V. Milchevskiy

On topology and knotty entanglement in protein folding

Alexander Begun, Sergei Liubimov, Alexander Molochkov, Antti J. Niemi

In Vitro Assembly Kinetics of Cytoplasmic Intermediate Filaments: A Correlative Monte Carlo Simulation Study

Norbert Mücke, Stefan Winheim, [ ... ], Harald Herrmann

An Efficient Algorithm to Perform Local Concerted Movements of a Chain Molecule

Stefano Zamuner, Alex Rodriguez, Flavio Seno, Antonio Trovato

Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study

Omar bin Shawkataly, Chin-Ping Goh, [ ... ], Mohd Mustaqim Rosli

Electron Transport and Nonlinear Optical Properties of Substituted Aryldimesityl Boranes: A DFT Study

Altaf Hussain Pandith, Nasarul Islam

Adaptive Firefly Algorithm: Parameter Analysis and its Application

Ngaam J. Cheung, Xue-Ming Ding, Hong-Bin Shen

Improvements to Robotics-Inspired Conformational Sampling in Rosetta

Amelie Stein, Tanja Kortemme

An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints

Pablo Echenique, Claudio N. Cavasotto, [ ... ], J.L. Alonso

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