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The Journal of Chemical Physics|January 16, 2022
Automatic multi-objective optimization of coarse-grained lipid force fields using SwarmCGCharly Empereur-Mot, Riccardo Capelli, Mattia Perrone, et al.Communications Chemistry|July 5, 2023
Machine learning of atomic dynamics and statistical surface identities in gold nanoparticlesDaniele Rapetti, Massimo Delle Piane, Matteo Cioni, et al.Chemical Science|December 15, 2023
Self-assembly of cyclic peptide monolayers by hydrophobic supramolecular hingesIgnacio Insua, Annalisa Cardellini, Sandra Díaz, et al.Nanoscale|June 30, 2021
Understanding functional group and assembly dynamics in temperature responsive systems leads to design principles for enzyme responsive assembliesHongxu Liu, Chiara Lionello, Jenna Westley, et al.Molecular Pharmaceutics|January 21, 2012
Antitumor activity and molecular dynamics simulations of paclitaxel-laden triazine dendrimersJongdoo Lim, Su-Tang Lo, Sonia Hill, et al.PNAS Nexus|February 19, 2025
Classification and spatiotemporal correlation of dominant fluctuations in complex dynamical systemsCristina Caruso, Martina Crippa, Annalisa Cardellini, et al.Journal of the American Chemical Society|September 14, 2023
Emergence of Photomodulated Protometabolism by Short Peptide-Based AssembliesAntara Reja, Sumit Pal, Kishalay Mahato, et al.ACS Omega|September 5, 2022
Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in SolutionRiccardo Capelli, Alexander J Menke, Hongjun Pan, et al.Chemical Science|August 10, 2018
Consequences of a cosolvent on the structure and molecular dynamics of supramolecular polymers in waterRené P M Lafleur, Xianwen Lou, Giovanni M Pavan, et al.Biomacromolecules|February 6, 2010
Computational insights into the interactions between DNA and siRNA with "rigid" and "flexible" triazine dendrimersGiovanni M Pavan, Meredith A Mintzer, Eric E Simanek, et al.Pageof 13