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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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computer simulation

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4 results in Keywords: computer simulation

Theoretical and Computational Chemistry

Modification of Chitosan Based on Computer Simulation and Its Application as Biomaterial

Gurmohinder Heggnnavar

Version 1 posted 28 June 2019

412

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Theoretical and Computational Chemistry

Systematic bottom-up molecular coarse-graining via force and torque matching using anisotropic particles

David Huang, Huong Nguyen

Version 2 posted 05 April 2022

610

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Physical Chemistry

The Absorption of Phosphonium Cations and Dications into a Hydrated POPC Phospholipid Bilayer: a Computational Study

Visakh Pillai, Pallavi Kumari, Antonio Benedetto, Dorothea Gobbo, Pietro Ballone

Version 2 posted 09 April 2022

222

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Physical Chemistry

Zwitterionic Osmolytes Employ Dual Mechanisms for Resurrection of Surface Charge under Salt-stress

Susmita Sarkar, Anku Guha, T. N. Narayanan, Jagannath Mondal

Version 1 posted 16 February 2022

272

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