Showing results (2091-2100 of 2,646) with videos related to
Sort By:
Pageof 265
Journal of Computer-Aided Molecular Design|July 4, 2018
Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searchingTomoyuki Miyao, Jürgen BajorathJournal of Computer-Aided Molecular Design|August 3, 2018
Generating conformational transition paths with low potential-energy barriers for proteinsMinh Khoa Nguyen, Léonard Jaillet, Stéphane RedonJournal of Computer-Aided Molecular Design|October 7, 2021
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2Jorge Enrique Hernández González, Emir Salas-Sarduy, Lilian Hernández Alvarez, et al.Journal of Computer-Aided Molecular Design|July 9, 2022
Identification of HPr kinase/phosphorylase inhibitors: novel antimicrobials against resistant Enterococcus faecalisSandeep Kumar, Rajendra Bhadane, Shruti Shandilya, et al.Journal of Computer-Aided Molecular Design|June 17, 2019
Rational creation and systematic analysis of cervical cancer kinase-inhibitor binding profileMin Han, Dongdong SunJournal of Computer-Aided Molecular Design|July 5, 2019
Anti-malarial, cytotoxicity and molecular docking studies of quinolinyl chalcones as potential anti-malarial agentAsima Hameed, Sara Masood, Aamir Hameed, et al.Journal of Computer-Aided Molecular Design|February 24, 2022
Benchmarking ensemble docking methods in D3R Grand Challenge 4Jessie Low Gan, Dhruv Kumar, Cynthia Chen, et al.Journal of Computer-Aided Molecular Design|September 10, 2018
In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discoveryNoriyuki Yamaotsu, Shuichi HironoJournal of Computer-Aided Molecular Design|September 12, 2018
Binding free energies in the SAMPL6 octa-acid host-guest challenge calculated with MM and QM methodsOctav Caldararu, Martin A Olsson, Majda Misini Ignjatović, et al.Journal of Computer-Aided Molecular Design|October 17, 2018
Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host-guest challengesNaohiro Nishikawa, Kyungreem Han, Xiongwu Wu, et al.Pageof 265