Edward B Miller

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 7

Top Topics

Molecular Dynamics Simulations

Protein Protein

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Yuqi Zhang, Marton Vass, Da Shi, Esam Abualrous, Jennifer M Chambers, Nikita Chopra, Christopher Higgs, Koushik Kasavajhala, Hubert Li, Prajwal P Nandekar, Hideyuki Sato, Edward B Miller, Matthew P Repasky, Steven V Jerome
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery. Journal of chemical information and modeling (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
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. Journal of chemical theory and computation (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
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. Journal of chemical theory and computation 20 (1) (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
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. Journal of chemical theory and computation 20 (1) (2023)
Dilek Coskun, Wei Chen, Anthony J Clark, Chao Lu, Edward D Harder, Lingle Wang, Richard A Friesner, Edward B Miller
Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations. Journal of chemical theory and computation (2022)
Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth W Borrelli, Robert Abel, Richard A Friesner, Edward B Miller
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models. Journal of chemical theory and computation 18 (9) (2022)
Edward B Miller, Robert B Murphy, Daniel Sindhikara, Kenneth W Borrelli, Matthew J Grisewood, Fabio Ranalli, Steven L Dixon, Steven Jerome, Nicholas A Boyles, Tyler Day, Phani Ghanakota, Sayan Mondal, Salma B Rafi, Dawn M Troast, Robert Abel, Richard A Friesner
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding. Journal of chemical theory and computation 17 (4) (2021)