Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space

By Marwen Naïm, Sathesh Bhat, K. Rankin, Sheldon Dennis, S. Chowdhury, Imran Siddiqi, P. Drabik, T. Sulea, C. Bayly, A. Jakalian and 1 more. Journal of Chemical Information and Modeling, 2007

376 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Computational Theory and Mathematics, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/699586027d7a1f7868bcba2207afbd4cbf124a01

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In Atomic and Molecular Physics, and Optics

1. Markus A. Lill
2. Matthew L. Danielson

In Computational Theory and Mathematics

1. Markus A. Lill
2. Matthew L. Danielson
3. Russ B. Altman
4. Tianyun Liu

Citations in the corpus

• Computer-aided drug design platform using PyMOL (2011, methodology): “Free energy estimates of the refined protein-ligand structure can be automatically estimated using the sum of van der Waals, electrostatic interactions, and Poisson–Boltzmann Surface Area calculations (MMPBSA) [25, 26] or alternatively using the Solvated Interaction Energies method (SIE) [ 27 ] (Fig”