2020年第124卷38期
共24篇1. How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step. 8259-8265页
作者:Alja,Prah; Miha,Purg; Jernej,Stare; Robert,Vianello; Janez,Mavri
2. Slowing Down of the Molecular Reorientation of Water in Concentrated Alkaline Solutions. 8309-8316页
作者:Roberto,Cota; Eliane P,van Dam; Sander,Woutersen; Huib J,Bakker
3. Dramatic Shape Changes Occur as Cytochrome <i>c</i> Folds. 8240-8248页
作者:Serdal,Kirmizialtin; Felicia,Pitici; Alfredo E,Cardenas; Ron,Elber; D,Thirumalai
4. Accurate Estimation of Membrane Capacitance from Atomistic Molecular Dynamics Simulations of Zwitterionic Lipid Bilayers. 8278-8286页
作者:Vikram Reddy,Ardham; Valeria,Zoni; Sylvain,Adamowicz; Pablo,Campomanes; Stefano,Vanni
5. Salt-Dependent Interactions between the C-Terminal Domain of Osmoregulatory Transporter ProP of <i>Escherichia coli</i> and the Lipid Membrane. 8209-8220页
作者:Tugba N,Ozturk; Doreen E,Culham; Laura,Tempelhagen; Janet M,Wood; Guillaume,Lamoureux
6. Bright Solvent-Free Luminescent Liquid with Magnetism Composed of a Thiocyanate Complex of Ce(III). 8317-8322页
作者:Toshifumi,Iimori; Hiroto,Sugawa; Nobuya,Uchida
7. Coarse-Grain Simulations of Solid Supported Lipid Bilayers with Varying Hydration Levels. 8287-8298页
作者:Florian,Benedetti; Li,Fu; Fabrice,Thalmann; Thierry,Charitat; Anne,Rubin; Claire,Loison
8. Coumarin Partitioning in Model Biological Membranes: Limitations of log <i>P</i> as a Predictor. 8299-8308页
作者:Katelyn M,Duncan; Aoife,Casey; Christine A,Gobrogge; Rhys C,Trousdale; Stefan M,Piontek; Matthew J,Cook; William H,Steel; Robert A,Walker
9. Continuous Molecular Representations of Ionic Liquids. 8347-8357页
作者:Wesley,Beckner; Chowdhury,Ashraf; James,Lee; David A C,Beck; Jim,Pfaendtner
10. Preferential Orientations and Anomalous Interfacial Tensions in Aqueous Solutions of Alcohols. 8388-8401页
作者:Jesús,Algaba; José Manuel,Mı Guez; Paula,Gómez-Álvarez; Andrés,Mejı A; Felipe J,Blas
11. Interdiction of Protein Folding for Therapeutic Drug Development in SARS CoV-2. 8201-8208页
作者:Fernando,Bergasa-Caceres; Herschel A,Rabitz
12. Ab Initio Study of Hydrolysis Effects in Single and Ion-Exchanged Alkali Aluminosilicate Glasses. 8418-8433页
作者:Khagendra,Baral; Aize,Li; Wai-Yim,Ching
13. Discovering Protein Conformational Flexibility through Artificial-Intelligence-Aided Molecular Dynamics. 8221-8229页
作者:Zachary,Smith; Pavan,Ravindra; Yihang,Wang; Rory,Cooley; Pratyush,Tiwary
14. Comparative Study of M[N(SO<sub>2</sub>F)(SO<sub>2</sub>CF<sub>3</sub>)]-[<i>N</i>-Butyl-<i>N</i>-methylpyrroridinium][N(SO<sub>2</sub>F)(SO<sub>2</sub>CF<sub>3</sub>)] (M = Li, Na, K, Rb, Cs) Ionic Liquid Electrolytes. 8380-8387页
作者:Takayuki,Yamamoto; Shu,Nishijima; Toshiyuki,Nohira
16. Microanalysis of Single Poly(<i>N</i>-isopropylacrylamide) Droplet Produced by an Optical Tweezer in Water: Isotacticity Dependence of Growth and Chemical Structure of the Droplet. 8454-8463页
作者:Kenta,Ushiro; Tatsuya,Shoji; Mitsuhiro,Matsumoto; Taka-Aki,Asoh; Hideo,Horibe; Yukiteru,Katsumoto; Yasuyuki,Tsuboi
17. Evidence of Direct Dissolution of CO<sub>2</sub> into the Ionic Liquid [C<sub>4</sub>min] [NTf<sub>2</sub>] during Their Initial Interaction. 8331-8339页
作者:Takahiro,Teramoto; Hiroshi,Ohoyama
18. Real-Time Monitoring of the Multistate Conformational Dynamics of Polypurine Reverse Hoogsteen Hairpin To Capture Their Triplex-Affinity for Gene Silencing by smFRET Microspectroscopy. 8230-8239页
作者:Debolina,Bandyopadhyay; Padmaja P,Mishra
19. Experimentally Consistent Simulation of Aβ<sub>21-30</sub> Peptides with a Minimal NMR Bias. 8266-8277页
作者:Dilnoza B,Amirkulova; Maghesree,Chakraborty; Andrew D,White
20. On the X-ray Scattering Pre-peak of Linear Mono-ols and the Related Microstructure from Computer Simulations. 8358-8371页
作者:Martina,Požar; Jennifer,Bolle; Christian,Sternemann; Aurélien,Perera
21. Photon Activation of Glassy Dynamics: A Mechanism for Photoinduced Fluidization, Aging, and Information Storage in Amorphous Materials. 8434-8453页
作者:Vassiliy,Lubchenko; Peter G,Wolynes
22. Programmable Design of Self-Organized Patterns through a Precipitation Reaction. 8402-8409页
作者:Masaki,Itatani; Qing,Fang; Kei,Unoura; Hideki,Nabika