| 3935 - 3943 |
Molecular Insights into Diphenylalanine Nanotube Assembly: All-Atom Simulations of Oligomerization
Jeon J, Mills CE, Shell MS |
| 3944 - 3953 |
New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational Study
Ceron-Carrasco JP, Jacquemin D, Graton J, Thany S, Le Questel JY |
| 3954 - 3961 |
On the Effect of Varying Constraints in the Quantum Mechanics Only Modeling of Enzymatic Reactions: The Case of Acetylene Hydratase
Liao RZ, Thiel W |
| 3962 - 3975 |
Effect of Solvent on the Self-Assembly of Dialanine and Diphenylalanine Peptides
Rissanou AN, Georgilis E, Kasotaids E, Mitraki A, Harmandaris V |
| 3976 - 3982 |
Role of Formation of Statistical Aggregates in Chlorophyll Fluorescence Concentration Quenching
Shi WJ, Barber J, Zhao Y |
| 3983 - 3992 |
Excited State Properties of Naphtho-Homologated xxDNA Bases and Effect of Methanol Solution, Deoxyribose, and Base Pairing
Zhang LB, Ren TQ, Tian JX, Yang XQ, Zhou LZ, Li XM |
| 3993 - 4002 |
Molecular Mechanism of the Inhibition of EGCG on the Alzheimer A beta(1-42) Dimer
Zhang T, Zhang J, Derreumaux P, Mu YG |
| 4003 - 4013 |
Parallel beta-Sheet Fibril and Antiparallel beta-Sheet Oligomer: New Insights into Amyloid Formation of Hen Egg White Lysozyme under Heat and Acidic Condition from FTIR Spectroscopy
Zou Y, Li YY, Hao WY, Hu XQ, Ma G |
| 4014 - 4027 |
Reliable Oligonucleotide Conformational Ensemble Generation in Explicit Solvent for Force Field Assessment Using Reservoir Replica Exchange Molecular Dynamics Simulations
Henriksen NM, Roe DR, Cheatham TE |
| 4028 - 4041 |
Protein Influence on Charge-Asymmetry of the Primary Donor in Photosynthetic Bacterial Reaction Centers Containing a Heterodimer: Effects on Photophysical Properties and Electron Transfer
Harris MA, Luehr CA, Faries KM, Wander M, Kressel L, Holten D, Hanson DK, Laible PD, Kirmaier C |
| 4042 - 4049 |
Investigations of Ferric Heme Cyanide Photodissociation in Myoglobin and Horseradish Peroxidase
Zeng WQ, Sun YH, Benabbas A, Champion PM |
| 4050 - 4061 |
Cis Carotenoids: Colorful Molecules and Free Radical Quenchers
Hernandez-Marin E, Galano A, Martinez A |
| 4062 - 4071 |
Unraveling the Role of the Protein Environment for [FeFe]-Hydrogenase: A New Application of Coarse-Graining
McCullagh M, Voth GA |
| 4072 - 4080 |
Predictions of Phase Separation in Three-Component Lipid Membranes by the MARTINI Force Field
Davis RS, Kumar PBS, Sperotto MM, Laradji M |
| 4081 - 4088 |
Morphology and Adhesion Strength of Myoblast Cells on Photocurable Gelatin under Native and Non-native Micromechanical Environments
Yoshikawa HY, Kawano T, Matsuda T, Kidoaki S, Tanaka M |
| 4089 - 4097 |
Lifetimes of Excess Protons in Water Using a Dissociative Water Potential
Lockwood GK, Garofalini SH |
| 4098 - 4108 |
Phase Diagram of Solvophilic Nanodiscs in a Polymer Solution: Depletion Attraction
Hu SW, Sheng YJ, Tsao HK |
| 4109 - 4120 |
Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations
Araujo JMM, Pereiro AB, Lopes JNC, Rebelo LPN, Marrucho IM |
| 4121 - 4126 |
Interpretation of the Variation of the Walden Product of Ionic Liquids with Different Alkyl Chain Lengths in Terms of Relaxation Spectra
Yamaguchi T, Nakahara E, Sueda K, Koda S |
| 4127 - 4133 |
Large Fluorescence Response by Alcohol from a Bis(benzoxazole)-Zinc(II) Complex: The Role of Excited State Intramolecular Proton Transfer
Wang JF, Chu QH, Liu XM, Wesdemiotis C, Pang Y |
| 4134 - 4141 |
Compression of High Grafting Density Opposing Polymer Brushes Using Molecular Dynamics Simulations in Explicit Solvent
Elliott IG, Kuhl TL, Faller R |
| 4142 - 4150 |
Study of the Structural Role of Gallium and Aluminum in 45S5 Bioactive Glasses by Molecular Dynamics Simulations
Malavasi G, Pedone A, Menziani MC |
| 4151 - 4155 |
Theoretical Size Distribution in Linear Step-Growth Polymerization for a Small Number of Reacting Species
Keki S, Zsuga M, Kuki A |
