Results 211 to 220 of about 73,370 (269)

Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations. [PDF]

J Chem Inf Model
Behera S, Gapsys V, de Groot BL.
europepmc   +1 more source

Ayurinformatics Laboratory- A synergy platform for Ayurveda and technology. [PDF]

J Ayurveda Integr Med
Kumar Gupta P, Manoj Nesari T.
europepmc   +1 more source

Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy. [PDF]

J Chem Inf Model
Behera S, Hahn DF, Wilson CJ, Marsili S, Tresadern G, Gapsys V, de Groot BL.   +6 more
europepmc   +1 more source

Calibrating the Alchemical Potential Energy Hypersurface of Diatomics

Devika Gopakumar
openalex   +1 more source

Alchemy

, 1999
openaire   +1 more source

Digital Alchemy for Materials Design: Colloids and Beyond

ACS Nano, 2015
Starting with the early alchemists, a holy grail of science has been to make desired materials by modifying the attributes of basic building blocks.
Greg van Anders, Daphne Klotsa, Paul M Dodd   +2 more
exaly   +5 more sources