| 7937 - 7946 |
Conformation-Induced Dynamical Heterogeneity of Water in the Solvation Shell of Zwitterionic gamma-Aminobutyric Acid
Sharma B, Chandra A |
| 7947 - 7954 |
Ligand-Dependent Sodium Ion Dynamics within the A(2A) Adenosine Receptor: A Molecular Dynamics Study
Hu XH, Smith MD, Humphreys BM, Green AT, Parks JM, Baudry JY, Smith JC |
| 7955 - 7964 |
Water Plays a Cocatalytic Role in Epoxide Ring Opening Reaction in Aspartate Proteases: A QM/MM Study
Ahsan M, Senapati S |
| 7965 - 7973 |
Ion-Specific Protein/Water Interface Determines the Hofmeister Effect on the Kinetic Stability of Glucose Oxidase
Sedlak E, Sedlakova D, Marek J, Hancar J, Garajova K, Zoldak G |
| 7974 - 7983 |
Exploring the Ligand Binding/Unbinding Pathway by Selectively Enhanced Sampling of Ligand in a Protein-Ligand Complex
Shao Q, Zhu WL |
| 7984 - 7998 |
Quantum Calculation of Proton and Other Charge Transfer Steps in Voltage Sensing in the Kv1.2 Channel
Kariev AM, Green ME |
| 7999 - 8009 |
High-Resolution Markov State Models for the Dynamics of Trp-Cage Miniprotein Constructed Over Slow Folding Modes Identified by State-Free Reversible VAMPnets
Sidky H, Chen W, Ferguson AL |
| 8010 - 8018 |
Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
Grabowska J, Kuffel A, Zielkiewicz J |
| 8019 - 8033 |
Local Ordering at the N-H Sites of the Rho GTPase Binding Domain of Plexin-B1: Impact of Dimerization
Mendelman N, Zerbetto M, Buck M, Meirovitch E |
| 8034 - 8047 |
Breaking the Backbone: Central Arginine Residues Induce Membrane Exit and Helix Distortions within a Dynamic Membrane Peptide
McKay MJ, Fu RQ, Greathouse DV, Koeppe RE |
| 8048 - 8056 |
Continuous Wave Electron Paramagnetic Resonance Spectroscopy Reveals the Structural Topology and Dynamic Properties of Active Pinholin S(21)68 in a Lipid Bilayer
Ahammad T, Drew DL, Sahu ID, Serafin RA, Clowes KR, Lorigan GA |
| 8057 - 8064 |
Promotion Effect of Succinimide on Amyloid Fibrillation of Hen Egg-White Lysozyme
Fang W, Xing L, Chen N, Zhou XG, Yu YQ, Liu SL |
| 8065 - 8073 |
Hydroxyl Radical-Coupled Electron-Transfer Mechanism of Flavin-Dependent Hydroxylases
Tweedy SE, Benitez AR, Narayan ARH, Zimmerman PM, Brooks CL, Wymore T |
| 8074 - 8085 |
Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated Electron
Dasgupta S, Rana B, Herbert JM |
| 8086 - 8090 |
Fluctuation Effects in the Adam-Gibbs Model of Cooperative Relaxation
Hutchison C, Bhattarai A, Wang AL, Mohanty U |
| 8091 - 8095 |
Pressure-Induced Miscibility Increase of CH4 in H2O: A Computational Study Using Classical Potentials
Pruteanu CG, Marenduzzo D, Loveday JS |
| 8096 - 8102 |
Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts
Jones LO, Mosquera MA, Schatz GC, Ratner MA |
| 8103 - 8112 |
Spontaneous Crystallization of a Supercooled Lennard-Jones Liquid: Molecular Dynamics Simulation
Baidakov VG, Protsenko KR |
| 8113 - 8122 |
Dynamics and Vibrational Spectroscopy of Alcohols in Ionic Liquids: Methanol and Ethanol
Floisand DJ, Miller TC, Corcelli SA |
| 8123 - 8130 |
Mass-Dependent Solvent Friction of a Hydrophobic Molecule
Daldrop JO, Netz RR |
| 8131 - 8139 |
Self-Assembly of a beta-Cyclodextrin Bis-Inclusion Complex into a Highly Crystalline Fiber Network. An Effective Strategy for Null Aggregate Design
Nayak N, Gopidas KR |
| 8140 - 8153 |
Mixed Micellization of Cationic/Anionic Surfactants: Role of Matching Water Affinities between Oppositely Charged Headgroups and That between Oppositely Charged Constituent Counterions
Hao LS, Xiao K, Hu Y, Zhang SS, Liu JX, Wei YY, Chen Y, Nan YQ |
| 8154 - 8165 |
Shape, Size, and Internal Dynamics of Loosely Bound Colloidlike Ionic Clusters in Ternary Solvent Systems
Eisermann J, Roth AF, Hinderberger D |
| 8166 - 8166 |
Characterizing Large-Scale Receptor Clustering on the Single Cell Level: A Comparative Plasmon Coupling and Fluorescence Superresolution Microscopy Study (vol 123, pg 5494, 2019)
Zhang S, Reinhard BM |
