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Journal of Chemical Information and Modeling|June 6, 2025
Deep Learning Approaches for Predicting the Surface Tension of Ionic LiquidsNikhitha Gugulothu, Mood Mohan, Madaline R Marland, et al.The Journal of Chemical Physics|June 1, 2023
Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learningMood Mohan, Micholas Dean Smith, Omar Demerdash, et al.The Journal of Membrane Biology|March 9, 2018
Catalysis of Ground State cis[Formula: see text] trans Isomerization of Bacteriorhodopsin's Retinal Chromophore by a Hydrogen-Bond NetworkNadia Elghobashi-Meinhardt, Prasad Phatak, Ana-Nicoleta Bondar, et al.The Journal of Physical Chemistry. B|April 12, 2014
Hydrolysis of DFP and the nerve agent (S)-sarin by DFPase proceeds along two different reaction pathways: implications for engineering bioscavengersTroy Wymore, Martin J Field, Paul Langan, et al.Biorxiv : the Preprint Server for Biology|September 4, 2024
GPRC6A is a Potential Therapeutic Target for Metformin Regulation of Glucose Homeostasis in MiceMin Pi, Rupesh Agarwal, Micholas Dean Smith, et al.Biophysical Journal|June 14, 2020
Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation StudyRupesh Agarwal, Utsab R Shrestha, Xiang-Qiang Chu, et al.Faraday Discussions|January 31, 2003
Time-resolved computational protein biochemistry: solvent effects on interactions, conformational transitions and equilibrium fluctuationsAlexander L Tournier, Danzhi Huang, Sonja M Schwarzl, et al.Annals of the New York Academy of Sciences|July 3, 2016
Limitations in current acetylcholinesterase structure-based design of oxime antidotes for organophosphate poisoningAndrey Kovalevsky, Donald K Blumenthal, Xiaolin Cheng, et al.ACS Nano|February 25, 2016
Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome's FacetJ P Mahalik, Kirsten A Brown, Xiaolin Cheng, et al.Journal of Chemical Information and Modeling|June 24, 2021
Mechanistic Insights into the Allosteric Inhibition of Androgen Receptors by Binding Function 3 Antagonists from an Integrated Molecular Modeling StudyXiaotian Kong, Enming Xing, Tony Zhuang, et al.Pageof 48