| 14563 - 14573 |
AMBER-ii: New Combining Rules and Force Field for Perfluoroalkanes
Nikitin A, Milchevskiy Y, Lyubartsev A |
| 14574 - 14583 |
Solid-State NMR/Dynamic Nuclear Polarization of Polypeptides in Planar Supported Lipid Bilayers
Salnikov ES, Sarrouj H, Reiter C, Aisenbrey C, Purea A, Aussenac F, Ouari O, Tordo P, Fedotenko I, Engelke F, Bechinger B |
| 14584 - 14593 |
Domain Motion Enhanced (DoME) Model for Efficient Conformational Sampling of Multidomain Proteins
Kobayashi C, Matsunaga Y, Koike R, Ota M, Sugita Y |
| 14594 - 14603 |
Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins
Andersen OJ, Grouleff J, Needham P, Waker RC, Jensen F |
| 14604 - 14621 |
Gas-Phase Acidities of Phosphorylated Amino Acids
Stover ML, Plummer CE, Miller SR, Cassady CJ, Dixon DA |
| 14622 - 14630 |
Sequence- and Temperature-Dependent Properties of Unfolded and Disordered Proteins from Atomistic Simulations
Zerze GH, Best RB, Mittal J |
| 14631 - 14636 |
Amyloid Fibril Solubility
Rizzi LG, Auer S |
| 14637 - 14651 |
Quantum Calculations of Electron Tunneling in Respiratory Complex III
Hagras MA, Hayashi T, Stuchebrukhov AA |
| 14652 - 14659 |
Quantum Chemical Studies on Stability and Chemical Activities in Calcium Ion Bound Calmodulin Loops
Sikdar S, Ghosh M, De Raychaudhury M, Chakrabarti J |
| 14660 - 14667 |
Time-Resolved Twisting Dynamics in a Porphyrin Dimer Characterized by Two-Dimensional Electronic Spectroscopy
Camargo FVA, Anderson HL, Meech SR, Heisler IA |
| 14668 - 14682 |
Simulating Gram-Negative Bacterial Outer Membrane: A Coarse Grain Model
Ma HL, Irudayanathan FJ, Jiang WJ, Nangia S |
| 14683 - 14696 |
Photoprotolytic Processes of Umbelliferone and Proposed Function in Resistance to Fungal Infection
Simkovitch R, Huppert D |
| 14697 - 14704 |
Flash Points of Secondary Alcohol and n-Alkane Mixtures
Esina ZN, Miroshnikov AM, Korchuganova MR |
| 14705 - 14719 |
Ab Initio Simulations and Electronic Structure of Lithium-Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability
Haskins JB, Bauschlicher CW, Lawson JW |
| 14720 - 14727 |
Direct Observation of 4-Phenoxyphenylnitrenium Ion: A Transient Absorption and Transient Resonance Raman Study
Xue JD, Li YF, Du LL, Du Y, Tang WJ, Zheng XM, Phillips DL |
| 14728 - 14737 |
Extension of Hopfield's Electron Transfer Model To Accommodate Site-Site Correlation
Newton MD |
| 14738 - 14749 |
Spectroscopic Analysis of Binary Mixed-Solvent-Polyimide Precursor Systems with the Preferential Solvation Model for Determining Solute-Centric Kamlet-Taft Solvatochromic Parameters
Duereh A, Sato Y, Smith RL, Inomata H |
| 14750 - 14755 |
Keto-Enol Tautomeric Equilibrium of Acetylacetone Solution Confined in Extended Nanospaces
Tsukahara T, Nagaoka K, Morikawa K, Mawatari K, Kitamori T |
| 14756 - 14765 |
Do TFSA Anions Slither? Pressure Exposes the Role of TFSA Conformational Exchange in Self-Diffusion
Suarez SN, Rua A, Cuffari D, Pilar K, Hatcher JL, Ramati S, Wishart JF |
| 14766 - 14779 |
The AHA Moment: Assessment of the Redox Stability of Ionic Liquids Based on Aromatic Heterocyclic Anions (AHAs) for Nuclear Separations and Electric Energy Storage
Shkrob IA, Marin TW |
| 14780 - 14789 |
Revisiting the Aqueous Solutions of Dimethyl Sulfoxide by Spectroscopy in the Mid- and Near-Infrared: Experiments and Car-Parrinello Simulations
Wallace VM, Dhumal NR, Zehentbauer FM, Kim HJ, Kiefer J |
| 14790 - 14799 |
Photoinduced Bimolecular Electron Transfer from Cyano Anions in Ionic Liquids
Wu BN, Liang M, Maroncelli M, Castner EW |
| 14800 - 14806 |
Molecular Simulations of Anion and Temperature Dependence on Structure and Dynamics of 1-Hexyl-3-methylimidazolium Ionic Liquids
Ramya KR, Kumar P, Venkatnathan A |
| 14807 - 14813 |
Preparation of AgCl Nanocubes and Their Application as Efficient Photoinitiators in the Polymerization of N-Isopropylacrylamide
Yang Y, Zhao Y, Yan YK, Wang YL, Guo CY, Zhang JS |
| 14814 - 14820 |
Dynamics of Ice/Water Confined in Nanoporous Alumina
Suzuki Y, Steinhart M, Graf R, Butt HJ, Floudas G |
