Dr. Eko Aditya Rifai, M.Sc., Apt.

Search
Close this search box.

Dr. Eko Aditya Rifai, M.Sc., Apt.

Dr. Eko Aditya Rifai, M.Sc., Apt.

Combined Linear Interaction Energy and Alchemical Solvation Free-Energy Approach for Protein-Binding Affinity Computation
EA Rifai, V Ferrario, J Pleiss, DP Geerke
Journal of chemical theory and computation 16 (2), 1300-1310

2020

Recent developments in Linear Interaction Energy based binding free energy calculations
EA Rifai, M van Dijk, DP Geerke
Frontiers in Molecular Biosciences 7

2020

A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation
EA Rifai, M Van Dijk, NPE Vermeulen, A Yanuar, DP Geerke
Journal of chemical information and modeling 59 (9), 4018-4033

2019

Applicability and performance of linear interaction energy based binding affinity calculation
EA Rifai

2019

Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R …
EA Rifai, M van Dijk, NPE Vermeulen, DP Geerke
Journal of computer-aided molecular design 32 (1), 239-249
2018