Symon Gathiaka

Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations

Brian Doherty, Xiang Zhong, Symon Gathiaka et al. · Journal of Chemical Theory and Computation · 2017 · 538 citations · Full text

D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions

Symon Gathiaka, Shuai Liu, Michael Chiu et al. · Journal of Computer-Aided Molecular Design · 2016 · 217 citations · Full text

Affinity Predictions, Engineering, Protein Folding +10

D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Zied Gaieb, Shuai Liu, Symon Gathiaka et al. · Journal of Computer-Aided Molecular Design · 2017 · 192 citations · Full text

Blind Prediction, Engineering, Protein–ligand Poses +13

Identification of <scp>PLX</scp>4032‐resistance mechanisms and implications for novel <scp>RAF</scp> inhibitors

Jaehyuk Choi, Sean F. Landrette, Tiffany Wang et al. · Pigment Cell & Melanoma Research · 2013 · 56 citations · Full text

Odd–Even Effect in the Hydrophobicity of <i>n</i>-Alkanethiolate Self-Assembled Monolayers Depends upon the Roughness of the Substrate and the Orientation of the Terminal Moiety

Lucas B. Newcomb, Ian D. Tevis, Manza B. J. Atkinson et al. · Langmuir · 2014 · 45 citations

Engineering, Molecular Self-assembly, Terminal Moiety +16