Showing results (281-290 of 9,086) with videos related to
Sort By:
Pageof 909
Journal of Chemical Information and Modeling|March 2, 2022
Binary Matrix Method to Enumerate, Hierarchically Order, and Structurally Classify Peptide AggregationAmol Tagad, Reman Kumar Singh, G Naresh PatwariJournal of Chemical Information and Modeling|March 2, 2022
AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput ScreensKate A Stafford, Brandon M Anderson, Jon Sorenson, et al.Journal of Chemical Information and Modeling|October 15, 2021
Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics SimulationsCarlos Ramírez-Palacios, Hein J Wijma, Sebastian Thallmair, et al.Journal of Chemical Information and Modeling|September 21, 2021
CHARMM-GUI Membrane Builder for Lipid Nanoparticles with Ionizable Cationic Lipids and PEGylated LipidsSoohyung Park, Yeol Kyo Choi, Seonghoon Kim, et al.Journal of Chemical Information and Modeling|March 30, 2022
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug DesignCarsten Kutzner, Christian Kniep, Austin Cherian, et al.Journal of Chemical Information and Modeling|October 19, 2019
A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual ScreeningMaritza Hernandez, Guo Liang Gan, Kirby Linvill, et al.Journal of Chemical Information and Modeling|May 11, 2018
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening StudiesAlessandro Pedretti, Angelica Mazzolari, Giulio VistoliJournal of Chemical Information and Modeling|December 7, 2023
High-Temperature Polymer Dielectrics Designed Using an Invertible Molecular Graph Generative ModelDi-Fan Liu, Yong-Xin Zhang, Wen-Zhuo Dong, et al.Journal of Chemical Information and Modeling|December 4, 2023
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E FunctionRunduo Liu, Wenchao Li, Yufen Yao, et al.Journal of Chemical Information and Modeling|December 5, 2023
Polarizable AMOEBA Model for Simulating Mg2+·Protein·Nucleotide ComplexesJulian M Delgado, Péter R Nagy, Sameer VarmaPageof 909