| 4247 - 4262 |
Variance of Atomic Coordinates as a Dynamical Metric to Distinguish Proteins and Protein-Protein Interactions in Molecular Dynamics Simulations
Paul S, Ainavarapu SRK, Venkatramani R |
| 4263 - 4269 |
Quadruplex-Based Reactions for Dynamic DNA Nanotechnology
Kankia B |
| 4270 - 4283 |
Exploring the Reaction Mechanism of HIV Reverse Transcriptase with a Nucleotide Substrate
Wang H, Huang N, Dangerfield T, Johnson KA, Gao JL, Elber R |
| 4284 - 4292 |
Conformational Entropy from Restricted Bond-Vector Motion in Proteins: The Symmetry of the Local Restrictions and Relation to NMR Relaxation
Mendelman N, Meirovitch E |
| 4293 - 4302 |
Upper Excited State Photophysics of Malachite Green in Solution and Films
Zhou YC, Gurzadyan GG, Ni WJ, Gelin MF, Sun LC |
| 4303 - 4325 |
Molecular Dynamics Simulations and Product Vibrational Spectral Analysis for the Reactions of NO2 with 1-Ethyl-3-methylimidazolium Dicyanamide (EMIM(+)DCA(-)), 1-Butyl-3-methylimidazolium Dicyanamide (BMIM(+)DCA(-)), and 1-Allyl-3-methylimidazolium Dicyanamide (AMIM(+)DCA(-))
Liu JB, Zhou WJ, Chambreau SD, Vaghjiani GL |
| 4326 - 4337 |
Combining Lindblad Master Equation and Surface Hopping to Evolve Distributions of Quantum Particles
Wang YS, Nijjar P, Zhou X, Bondar DI, Prezhdo OV |
| 4338 - 4357 |
Potential of Mean Force Calculations for an S(N)2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations
Sanchez-Badillo J, Gallo M, Guirado-Lopez RA, Gonzalez-Garcia R |
| 4358 - 4364 |
Hydration of Carboxyl Groups: A Route toward Molecular Recognition?
Di Gioacchino M, Bruni F, Imberti S, Ricci MA |
| 4365 - 4371 |
Universal and Nonuniversal Aspects of Electrostatics in Aqueous Nanoconfinement
Loche P, Ayaz C, Wolde-Kidan A, Schlaich A, Netz RR |
| 4372 - 4378 |
Electrokinetic Behavior of Laponite RD in Aqueous Suspensions Containing Poly(ethylene oxide) and Cetyltrimethylammonium Bromide
Manilo MV, Lebovka NI, Barany S |
