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Protein docking refinement by convex underestimation in the low-dimensional subspace of encounter complexes

https://doi.org/10.1038/s41598-018-23982-3

Zarbafian, Shahrooz ; Moghadasi, Mohammad ; Roshandelpoor, Athar ; Nan, Feng ; Li, Keyong ; Vakli, Pirooz ; Vajda, Sandor ; Kozakov, Dima ; Paschalidis, Ioannis Ch. ( December 2018 , Scientific Reports)

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Efficient Maintenance and Update of Nonbonded Lists in Macromolecular Simulations

https://doi.org/10.1021/ct400474w

Chowdhury, Rezaul ; Beglov, Dmitri ; Moghadasi, Mohammad ; Paschalidis, Ioannis Ch. ; Vakili, Pirooz ; Vajda, Sandor ; Bajaj, Chandrajit ; Kozakov, Dima ( October 2014 , Journal of Chemical Theory and Computation)

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