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20022026
most citedIdentification of direct residue contacts in protein-protein interaction by message passing

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physics.chem-ph2023★ 21 cited

Optimizing the Regularization in Size-Consistent Second-Order Brillouin-Wigner Perturbation Theory

Kevin Carter-Fenk, James Shee, Martin Head-Gordon

Despite its simplicity and relatively low computational cost, second-order Møller-Plesset perturbation theory (MP2) is well-known to overbind noncovalent interactions between polar…