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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

published 04 Nov 2021

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

Xubiao Peng, Antti J. Niemi

published 30 Sep 2021

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Structural coordinates: A novel approach to predict protein backbone conformation

Vladislava Milchevskaya, Alexei M. Nikitin, Sergey A. Lukshin, Ivan V. Filatov, Yuri V. Kravatsky, Vladimir G. Tumanyan, Natalia G. Esipova, Yury V. Milchevskiy

published 20 May 2021

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On topology and knotty entanglement in protein folding

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

published 13 Jan 2021

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

Norbert Mücke, Stefan Winheim, Holger Merlitz, Jan Buchholz, Jörg Langowski, Harald Herrmann

published 15 Jun 2016

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

Stefano Zamuner, Alex Rodriguez, Flavio Seno, Antonio Trovato

published 31 Mar 2015

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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, Abu Tariq, Imthyaz Ahmad Khan, Hoong-Kun Fun, Mohd Mustaqim Rosli

published 23 Mar 2015

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

Altaf Hussain Pandith, Nasarul Islam

published 05 Dec 2014

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Adaptive Firefly Algorithm: Parameter Analysis and its Application

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

published 14 Nov 2014

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Improvements to Robotics-Inspired Conformational Sampling in Rosetta

Amelie Stein, Tanja Kortemme

published 21 May 2013

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

Pablo Echenique, Claudio N. Cavasotto, Monica De Marco, Pablo Garca-Risueño, J.L. Alonso

published 12 Sep 2011

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