Construction of Quantitative Structure Activity Relationship (QSAR) Models to Predict Potency of Structurally Diversed Janus Kinase 2 Inhibitors

por Simeon, Saw, Jongkon, Nathjanan
Publicado 2019

Structure-based virtual screening for PDL1 dimerizers: Evaluating generic scoring functions

por Tran-Nguyen, Viet-Khoa, Simeon, Saw, Junaid, Muhammad, Ballester, Pedro J.
Publicado 2022

Towards reproducible computational drug discovery

por Schaduangrat, Nalini, Lampa, Samuel, Simeon, Saw, Gleeson, Matthew Paul, Spjuth, Ola, Nantasenamat, Chanin
Publicado 2020

osFP: a web server for predicting the oligomeric states of fluorescent proteins

por Simeon, Saw, Shoombuatong, Watshara, Anuwongcharoen, Nuttapat, Preeyanon, Likit, Prachayasittikul, Virapong, Wikberg, Jarl E. S., Nantasenamat, Chanin
Publicado 2016

Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking

por Simeon, Saw, Anuwongcharoen, Nuttapat, Shoombuatong, Watshara, Malik, Aijaz Ahmad, Prachayasittikul, Virapong, Wikberg, Jarl E.S., Nantasenamat, Chanin
Publicado 2016

Origin of aromatase inhibitory activity via proteochemometric modeling

por Simeon, Saw, Spjuth, Ola, Lapins, Maris, Nabu, Sunanta, Anuwongcharoen, Nuttapat, Prachayasittikul, Virapong, Wikberg, Jarl E.S., Nantasenamat, Chanin
Publicado 2016