Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach “Reverse Pathway Engineering”

por Liu, Mengjin, Bienfait, Bruno, Sacher, Oliver, Gasteiger, Johann, Siezen, Roland J., Nauta, Arjen, Geurts, Jan M. W.
Publicado 2014

Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system

por Schwöbel, Johannes AH, Bienfait, Bruno, Gasteiger, Johann, Kleinöder, Thomas, Marusczyk, Jörg, Sacher, Oliver, Schwab, Christof H, Tarkhov, Aleksey, Terfloth, Lothar, Cronin, Mark TD
Publicado 2012