Showing results (791-800 of 2,625) with videos related to
Sort By:
Pageof 263
Journal of Computer-Aided Molecular Design|April 1, 1988
A molecular graphics study exploring a putative ligand binding site of the beta-adrenoceptorA P IJzerman, H W van VlijmenJournal of Computer-Aided Molecular Design|May 24, 2017
Antagonist-perturbation mechanism for activation function-2 fixed motifs: active conformation and docking mode of retinoid X receptor antagonistsMotonori TsujiJournal of Computer-Aided Molecular Design|May 21, 2017
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEPSankalp Jain, Melanie Grandits, Lars Richter, et al.Journal of Computer-Aided Molecular Design|September 16, 2016
Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 moleculesEmiliano Brini, S Shanaka Paranahewage, Christopher J Fennell, et al.Journal of Computer-Aided Molecular Design|August 24, 2016
Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015Diogo Santos-MartinsJournal of Computer-Aided Molecular Design|August 28, 2016
Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation modelSebastian Diaz-Rodriguez, Samantha M Bozada, Jeremy R Phifer, et al.Journal of Computer-Aided Molecular Design|April 8, 2018
Comparing the performance of meta-classifiers-a case study on selected imbalanced data sets relevant for prediction of liver toxicitySankalp Jain, Eleni Kotsampasakou, Gerhard F EckerJournal of Computer-Aided Molecular Design|June 6, 2019
Identification of novel and potent small-molecule inhibitors of tubulin with antitumor activities by virtual screening and biological evaluationsGuangpu Liu, Yang Jiao, Chunxi Huang, et al.Journal of Computer-Aided Molecular Design|March 15, 2022
Extended continuous similarity indices: theory and application for QSAR descriptor selectionAnita Rácz, Timothy B Dunn, Dávid Bajusz, et al.Journal of Computer-Aided Molecular Design|March 26, 2022
Data-informed reparameterization of modified RNA and the effect of explicit water models: application to pseudouridine and derivativesNivedita Dutta, Indrajit Deb, Joanna Sarzynska, et al.Pageof 263