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Physical Chemistry

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Theoretical and Computational Chemistry

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Over 3 years

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Structure Refinement

Authors

3 results in Keywords: Structure Refinement

Theoretical and Computational Chemistry

Improved Sampling Strategies for Protein Model Refinement based on Molecular Dynamics Simulation

Lim Heo, Collin Arbour, Michael Feig

Version 1 posted 01 December 2020

758

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Theoretical and Computational Chemistry

Ultra-Large-Scale Ab Initio Quantum Chemical Computation of Bio-Molecular Systems: The Case of Spike Protein of SARS-CoV-2 Virus

Wai-Yim Ching, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik

Version 1 posted 07 December 2020

733

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Physical Chemistry

Refinement of Organic Crystal Structure with Multipolar Electron Scattering Factors

Barbara Gruza, Michał Leszek Chodkiewicz, Joanna M. Krzeszczakowska, Paulina Dominiak

Version 1 posted 26 June 2019

635

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