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Journal of Chemical Information and Modeling|September 16, 2020
Chirality Effects in Biomolecular Systems: Calculation of the Relative Free Energies by Molecular Dynamics SimulationsAnita Plazinska, Wojciech PlazinskiJournal of Chemical Information and Modeling|September 18, 2020
De Novo Protein Design for Novel Folds Using Guided Conditional Wasserstein Generative Adversarial NetworksMostafa Karimi, Shaowen Zhu, Yue Cao, et al.Journal of Chemical Information and Modeling|December 25, 2019
Multiepitope Subunit Vaccine to Evoke Immune Response against Acute EncephalitisNeeraj Kumar, Damini Sood, Neera Sharma, et al.Journal of Chemical Information and Modeling|December 28, 2019
Exploring the Binding Mechanism of GABAB Receptor Agonists and Antagonists through in Silico SimulationsJosé X Lima Neto, Katyanna S Bezerra, Emmanuel D Barbosa, et al.Journal of Chemical Information and Modeling|January 1, 2020
Incorporating Multisource Knowledge To Predict Drug Synergy Based on Graph Co-regularizationPingjian Ding, Cong Shen, Zihan Lai, et al.Journal of Chemical Information and Modeling|January 1, 2020
Brief Comparison between Experimental and Computationally Generated Ensembles of RNA DinucleotidesSimón Poblete, Tomás Pérez-AcleJournal of Chemical Information and Modeling|January 3, 2020
NCIPLOT4 Guide for Biomolecules: An Analysis Tool for Noncovalent InteractionsFrancesca PeccatiJournal of Chemical Information and Modeling|December 31, 2019
In Silico Design and Analysis of a Kinase-Focused Combinatorial Library Considering Diversity and QualityYan Yang, Yanmin Zhang, Yi Hua, et al.Journal of Chemical Information and Modeling|December 5, 2019
Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data BankLuca Pinzi, Giulio RastelliJournal of Chemical Information and Modeling|October 30, 2019
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH SimulationsRobert C Harris, Jana ShenPageof 909