DRUG DISCOVERY inter@action CHEMINFORMATICS - C&EN

Fuqiang Ban , Kush Dalal , Huifang Li , Eric LeBlanc , Paul S. Rennie , and Artem Cherkasov. Journal of Chemical Information and Modeling 2017 57 (5), 1018- ...

Apr 3, 2017 - Jon Paul Janet completed his Bachelor's degree in chemical engineering at the University of Cape Town in 2012 and holds joint Master's degrees in applied mathematics and scientific computing from KTH Stockholm and TU Berlin (2015). He i

Peter Axerio-Cilies†‡, Raymond H See†⊥, Roya Zoraghi†, Liam Worral∥, Tian ... Department of Chemistry, Simon Fraser University, Burnaby, BC, Canada.

The lead 91nM inhibitor IS-130 has been identified through ligand-based cheminformatic exploration of a chemical space around micromolar hits initially ...

Apr 3, 2017 - Such methods could be used to augment traditional fitness functions in EAs, e.g., ... The calculated relative redox potential (E rel 0) is then: (3)where ΔGsolv in both ...... C.; Sánchez-Carrera , R. S.; Gold-Parker , A.; Vogt , L.;

Nov 8, 2011 - staphylococcal pyruvate kinase (PK). Importantly, the developed compounds demonstrate complete selectivity for the bacterial enzyme ...

Apr 3, 2017 - Jon Paul Janet completed his Bachelor's degree in chemical engineering at the University of Cape Town in 2012 and holds joint Master's degrees in applied mathematics and scientific computing from KTH Stockholm and TU Berlin (2015). He i

Apr 3, 2017 - Successful demonstrations of the value of VHTS have included the discovery of new electrolyte materials,(30, 31) organic light-emitting diodes,(18, 19) and photovoltaics.(32, 33) Advanced molecular design strategies have included applic

Publication Date (Web): April 3, 2017 ... Efthymios I. Ioannidis received a Diploma in Chemical Engineering from the National Technical University of Athens in ...

Nov 8, 2011 - ABSTRACT: We have recently mapped the protein inter- action network of methicillin-resistant Staphylococcus aureus. (MRSA), which revealed ...