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Scientific Reports|December 4, 2023
A computational spatial whole-Cell model for hepatitis B viral infection and drug interactionsZhaleh Ghaemi, Oluwadara Nafiu, Emad Tajkhorshid, et al.Current Opinion in Structural Biology|July 27, 2005
Molecular dynamics simulations of proteins in lipid bilayersJames Gumbart, Yi Wang, Alekseij Aksimentiev, et al.Biochemistry|December 21, 2016
Asymmetric Binding and Metabolism of Polyunsaturated Fatty Acids (PUFAs) by CYP2J2 EpoxygenaseWilliam R Arnold, Javier L Baylon, Emad Tajkhorshid, et al.Proceedings of the National Academy of Sciences of the United States of America|January 1, 2014
Water access points and hydration pathways in CLC H+/Cl- transportersWei Han, Ricky C Cheng, Merritt C Maduke, et al.Journal of the American Chemical Society|August 11, 2016
Binding Site Recognition and Docking Dynamics of a Single Electron Transport Protein: Cytochrome c2Abhishek Singharoy, Angela M Barragan, Sundarapandian Thangapandian, et al.Nature Communications|September 2, 2022
Proton-driven alternating access in a spinster lipid transporterReza Dastvan, Ali Rasouli, Sepehr Dehghani-Ghahnaviyeh, et al.Biophysical Journal|August 5, 2008
Peptide aggregation and pore formation in a lipid bilayer: a combined coarse-grained and all atom molecular dynamics studyLea Thøgersen, Birgit Schiøtt, Thomas Vosegaard, et al.Journal of the American Chemical Society|May 24, 2013
Characterizing the membrane-bound state of cytochrome P450 3A4: structure, depth of insertion, and orientationJavier L Baylon, Ivan L Lenov, Stephen G Sligar, et al.Nature Protocols|October 13, 2019
Integrating hydrogen-deuterium exchange mass spectrometry with molecular dynamics simulations to probe lipid-modulated conformational changes in membrane proteinsChloe Martens, Mrinal Shekhar, Andy M Lau, et al.Journal of Structural Biology|February 20, 2007
Exploring gas permeability of cellular membranes and membrane channels with molecular dynamicsYi Wang, Jordi Cohen, Walter F Boron, et al.Pageof 33