[ASAP] Dynamic Electron Polarization Lasting More Than 10 μs by Hybridizing Porphyrin and TEMPO with Flexible Linkers

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07936

6h

[ASAP] Exploring the Folding Mechanism of Dimeric Superoxide Dismutase

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c08877

11h

[ASAP] Plant Terpenoid Permeability through Biological Membranes Explored via Molecular Simulations

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07209

11h

[ASAP] Effect of Charge State on the Equilibrium and Kinetic Properties of Mechanically Interlocked [5]Rotaxane: A Molecular Dynamics Study

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07645

14h

[ASAP] Characterizing Experimental Monoclonal Antibody Interactions and Clustering Using a Coarse-Grained Simulation Library and a Viscosity Model

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07616

14h

[ASAP] Baseline Search in Raman Spectroscopy by Modified Tikhonov Regularization with Automatic Choice of Both Parameters

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c08870

18h

[ASAP] Dynamics of Acrylamide Hydrogels, Polymers, and Monomers in Water Measured with Optical Heterodyne-Detected Optical Kerr Effect Spectroscopy

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c08164

3d

[ASAP] (Pyridylamido)Hf(IV)-Catalyzed 1‑Octene Polymerization Reaction Interwoven with the Structural Dynamics of the Ion-Pair-Active Species: Bridging from Microscopic Simulation to Chemical Kinetics with the Red Moon Method

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07296

3d

[ASAP] Revisiting the Sweet Taste Receptor T1R2-T1R3 through Molecular Dynamics Simulations Coupled with a Noncovalent Interactions Analysis

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07180

3d

[ASAP] Conformations and Solvation of Synthetic Polymers in Water by Generalized Born Implicit-Solvent Molecular Dynamics Simulations: Stereoisomers of Poly(acrylic acid) and Poly(methacrylic acid)

The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c06658

3d