Edward B Miller

6PUBLICATIONS
22CO-AUTHORS
Biomolecular modelling and designAerospace structuresTheoretical quantum chemistryComputational chemistry
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Publications (6)

|Oct 01, 2026
Structural Plasticity and Ligand Promiscuity of CYP3A4 Revealed by Cryo-EM.

|Dec 15, 2023
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation.

Dilek Coskun, Muyun Lihan, João P G L M Rodrigues

|Mar 10, 2023
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery.

Yuqi Zhang, Marton Vass, Da Shi

|Nov 16, 2022
Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations.

Dilek Coskun, Wei Chen, Anthony J Clark

|Aug 16, 2022
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models.

Tianchuan Xu, Kai Zhu, Alexandre Beautrait

|Mar 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.

Edward B Miller, Robert B Murphy, Daniel Sindhikara

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Frequent Collaborators

4 joint publications

Richard A Friesner

2 joint publications

João P G L M Rodrigues

1 joint publications

Phani Ghanakota

1 joint publications

Kai Zhu