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Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States
American Chemical Society | 2015| -
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask
American Chemical Society | 2015| -
Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as Electrolytes for Lithium Batteries
American Chemical Society | 2016| -
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
American Chemical Society | 2010| -
Modern Room Temperature Ionic Liquids, a Simple Guide to Understanding Their Structure and How It May Relate to Dynamics
American Chemical Society | 2015| -
Probing the Reaction Mechanism of Aluminum/Poly(vinylidene fluoride) Composites
American Chemical Society | 2016| -
The Most Effective Gold Nanorod Size for Plasmonic Photothermal Therapy: Theory and In Vitro Experiments
American Chemical Society | 2014| -
Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models
American Chemical Society | 2013| -
A Critical Comparison of Biomembrane Force Fields: Structure and Dynamics of Model DMPC, POPC, and POPE Bilayers
American Chemical Society | 2016| -
Parameterization of Highly Charged Metal Ions Using the 12-6‑4 LJ-Type Nonbonded Model in Explicit Water
American Chemical Society | 2015| -
Developing a Fully Glycosylated Full-Length SARS-CoV‑2 Spike Protein Model in a Viral Membrane
American Chemical Society | 2020| -
New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation
American Chemical Society | 2015| -
Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers
American Chemical Society | 2016| -
Effects of Crystal Morphology on Singlet Exciton Fission in Diketopyrrolopyrrole Thin Films
American Chemical Society | 2016| -
Advances in the Simulation of Protein Aggregation at the Atomistic Scale
American Chemical Society | 2016| -
Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation
American Chemical Society | 2014|
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