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6 results in Keywords: monte carlo simulations

Biological and Medicinal Chemistry

Simulating Water Exchange to Buried Binding Sites

Ido Ben-Shalom, charles Lin, Tom Kurtzman, ross walker, Michael Gilson

Version 1 posted 21 December 2018

1,001

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Earth, Space, and Environmental Chemistry

Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

Michael Fischer

Version 2 posted 27 March 2020

1,083

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Theoretical and Computational Chemistry

Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions

Max Linke, Patrick Quoika, Berenger Bramas, Jürgen Köfinger, Gerhard Hummer

Version 1 posted 26 July 2022

254

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Analytical Chemistry

SERS Background Imaging – a Versatile Tool Towards More Reliable SERS Analytics

Paul Ebersbach, Ute Münchberg, Erik Freier

Version 1 posted 02 July 2020

334

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Physical Chemistry

Influence of Sub-angstrom Change in Interstitial Ion Size on Clay Swelling

Sai Adapa, Ateeque Malani

Version 1 posted 05 October 2020

496

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Theoretical and Computational Chemistry

Understanding the Origins of Reversible and Hysteretic Pathways of Adsorption Phase Transitions by Mesocanonical Ensemble Monte Carlo Simulations

Shivam Parashar, Alexander V. Neimark

Version 1 posted 26 December 2023

123

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