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Theoretical and Computational Chemistry

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Replica exchange

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2 results in Keywords: Replica exchange

Theoretical and Computational Chemistry

Assessing the Sequence Dependence of Pyrimidine-Pyrimidone (6-4) Photoproduct in a Duplex Double-Stranded DNA: A Challenge for Microsecond Range Simulation

Natacha Gillet, Alessio Bartocci, Elise Dumont

Version 1 posted 18 December 2020

348

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Theoretical and Computational Chemistry

Capturing the Flexibility of a Protein-Ligand Complex: Binding Free Energies from Different Enhanced Sampling Techniques

Sebastian Wingbermühle, Lars V. Schäfer

Version 3 posted 21 May 2020

1,366

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1

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