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Journal of Computer-Aided Molecular Design|August 8, 2018
Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3 : Binding free energies between flexible ligands and rigid receptorsBing Xie, David D L MinhJournal of Computer-Aided Molecular Design|August 8, 2018
HTMoL: full-stack solution for remote access, visualization, and analysis of molecular dynamics trajectory dataMauricio Carrillo-Tripp, Leonardo Alvarez-Rivera, Omar Israel Lara-Ramírez, et al.Journal of Computer-Aided Molecular Design|October 5, 2016
Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasetsEdithe Selwa, Virginie Y Martiny, Bogdan I IorgaJournal of Computer-Aided Molecular Design|September 12, 2019
Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0Woong-Hee Shin, Daisuke KiharaJournal of Computer-Aided Molecular Design|August 23, 2019
ART-RRT: As-Rigid-As-Possible search for protein conformational transition pathsMinh Khoa Nguyen, Léonard Jaillet, Stéphane RedonJournal of Computer-Aided Molecular Design|February 27, 2019
Assessing the performance of three resveratrol in binding with SIRT1 by molecular dynamics simulation and MM/GBSA methods: the weakest binding of resveratrol 3 to SIRT1 triggers a possibility of dissociation from its binding siteHan Chen, Yan Wang, Zheng Gao, et al.Journal of Computer-Aided Molecular Design|March 11, 2017
Bayesian molecular design with a chemical language modelHisaki Ikebata, Kenta Hongo, Tetsu Isomura, et al.Journal of Computer-Aided Molecular Design|March 20, 2017
Urgency and austerity as drivers of successTerry R StouchJournal of Computer-Aided Molecular Design|March 22, 2017
As-Rigid-As-Possible molecular interpolation pathsMinh Khoa Nguyen, Léonard Jaillet, Stéphane RedonJournal of Computer-Aided Molecular Design|May 7, 1998
A proposed bioactive conformation of peptide TN B Centeno, J J PerezPageof 263