| 5189 - 5195 |
Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding?
Falcon WE, Ellingson SR, Smith JC, Baudry J |
| 5196 - 5205 |
Molecular Insight into the Protein-Polymer Interactions in N-Terminal PEGylated Bovine Serum Albumin
Munasinghe A, Mathavan A, Mathavan A, Lin P, Colina CM |
| 5206 - 5215 |
Pseudopeptide Designed to Inhibit Oligomerization and Redox Chemistry in Alzheimer's Disease
Opare SKA, Rauk A |
| 5216 - 5228 |
Binding of Copper Ions with Octapeptide Region in Prion Protein: Simulations with Charge Transfer Model
Chen K, Li WF, Wang J, Wang W |
| 5229 - 5237 |
Structures and Dissociation Products of Ce/Peptide Complexes: Competition between Coordination and Charge Delocalization
Wang YT, Lai CK, Lau JKC, Hopkinson AC, Siu KWM |
| 5238 - 5245 |
Water Structure and Dynamics in the Stern Layer of Micelles: Femtosecond Mid-Infrared Pump-Probe Spectroscopy Study
Kundu A, Verma PK, Cho M |
| 5246 - 5255 |
Dynamical Reorganization of Transcriptional Events Governs Robust Nanog Heterogeneity
Samanta T, Kar S |
| 5256 - 5264 |
The Classifying Autoencoder: Gaining Insight into Amyloid Assembly of Peptides and Proteins
Tro MJ, Charest N, Taitz Z, Shea JE, Bowers MT |
| 5265 - 5273 |
Concerted Two-Electron Reduction of Ubiquinone in Respiratory Complex I
Hagras MA, Stuchebrukhov AA |
| 5274 - 5290 |
X-ray Scattering and Coarse-Grained Simulations for Clustering and Interactions of Monoclonal Antibodies at High Concentrations
Dear BJ, Bollinger JA, Chowdhury A, Hung JJ, Wilks LR, Karouta CA, Ramachandran K, Shay TY, Nieto MP, Sharma A, Cheung JK, Nykypanchuk D, Godfrin D, Johnston KP, Truskett TM |
| 5291 - 5301 |
Effect of Triclosan and Chloroxylenol on Bacterial Membranes
Poger D, Mark AE |
| 5302 - 5306 |
Ternary Deep Eutectic Solvent Behavior of Water and Urea-Choline Chloride Mixtures
Smith PJ, Arroyo CB, Hernandez FL, Goeltz JC |
| 5307 - 5315 |
Ultrafast Conformational Relaxation Dynamics in Anthryl-9-benzothiazole: Dynamic Planarization Driven Delocalization and Protonation-Induced Twisting Dynamics
Ghosh R, Nandi A, Kushwaha A, Das D |
| 5316 - 5323 |
Alcohol Clustering Mechanisms in Supercritical Carbon Dioxide Using Pulsed-Field Gradient, Diffusion NMR and Network Analysis: Feedback on Stepwise Self-Association Models
Graham TR, Pope DJ, Ghadar Y, Clark S, Clark A, Saunders SR |
| 5324 - 5336 |
Mechanistic Insights into the Growth of Anisotropic Nanostructures Inside Reverse Micelles: A Solvation Perspective
Yadav N, Chowdhury PK, Ganguli AK |
| 5337 - 5342 |
Solvation of Na- in the Sodide Solution, LiNa center dot 10MeNH(2)
Seel AG, Holzmann N, Imberti S, Bernasconi L, Edwards PP, Cullen PL, Howard CA, Skipper NT |
| 5343 - 5356 |
On the Miscibility and Immiscibility of Ionic Liquids and Water
McDaniel JG, Verma A |
| 5357 - 5367 |
Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field
Kowalik M, Ashraf C, Damirchi B, Akbarian D, Rajahpour S, van Duin ACT |
| 5368 - 5376 |
Low-Frequency Vibrational Modes of Nylon 6 Studied by Using Infrared and Raman Spectroscopies and Density Functional Theory Calculations
Yamamoto S, Ohnishi E, Sato H, Hoshina H, Ishikawa D, Ozaki Y |
| 5377 - 5383 |
Solid Film Formation at the Tetradecane/Aqueous Hexadecyltrimethylammonium Bromide Solution Interface Studied by Interfacial Tensiometry and X-ray Reflectometry
Hayase H, Imai Y, Ina T, Nitta K, Tanida H, Uruga T, Takiue T |
