2014年第118卷48期
共22篇1. Viscosity of Nafion oligomers as a function of hydration and counterion type: a molecular dynamics study. 13981-91页
作者:Kevin B,Daly; Athanassios Z,Panagiotopoulos; Pablo G,Debenedetti; Jay B,Benziger
2. DNA lesion can facilitate base ionization: vertical ionization energies of aqueous 8-oxoguanine and its nucleoside and nucleotide. 13833-7页
作者:Vladimír,Palivec; Eva,Pluhařová; Isaak,Unger; Bernd,Winter; Pavel,Jungwirth
3. Self-association of amphotericin B: spontaneous formation of molecular structures responsible for the toxic side effects of the antibiotic. 13821-32页
作者:Joanna,Starzyk; Marcin,Gruszecki; Krzysztof,Tutaj; Rafal,Luchowski; Radoslaw,Szlazak; Piotr,Wasko; Wojciech,Grudzinski; Jacek,Czub; Wieslaw I,Gruszecki
4. Co-assembled conductive hydrogel of N-fluorenylmethoxycarbonyl phenylalanine with polyaniline. 13969-80页
作者:Priyadarshi,Chakraborty; Partha,Bairi; Sanjoy,Mondal; Arun K,Nandi
5. Effect of graphitic layers encapsulating single-crystal apatite nanowire on the osteogenesis of human mesenchymal stem cells. 13849-58页
作者:Namjo,Jeong; Yun Chang,Park; Kyung Mee,Lee; Jae Hyup,Lee; Misun,Cha
6. Theoretical analysis of microtubule dynamics at all times. 13777-84页
作者:Xin,Li; Anatoly B,Kolomeisky
7. Modulation of non steroidal anti-inflammatory drug induced membrane fusion by copper coordination of these drugs: anchoring effect. 13785-99页
作者:Anupa,Majumdar; Sreeja,Chakraborty; Munna,Sarkar
8. Multiscale simulations give insight into the hydrogen in and out pathways of [NiFe]-hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans. 13800-11页
作者:Francesco,Oteri; Marc,Baaden; Elisabeth,Lojou; Sophie,Sacquin-Mora
9. Ab initio molecular dynamics study of the mechanism of proton recombination with a weak base. 13903-12页
作者:Jérôme,Cuny; Ali A,Hassanali
10. Analysis of solvation and gelation behavior of methylcellulose using atomistic molecular dynamics simulations. 13992-4008页
作者:Wenjun,Huang; Indranil S,Dalal; Ronald G,Larson
11. Irreversible catalyst activation enables hyperpolarization and water solubility for NMR signal amplification by reversible exchange. 13882-9页
作者:Milton L,Truong; Fan,Shi; Ping,He; Bingxin,Yuan; Kyle N,Plunkett; Aaron M,Coffey; Roman V,Shchepin; Danila A,Barskiy; Kirill V,Kovtunov; Igor V,Koptyug; Kevin W,Waddell; Boyd M,Goodson; Eduard Y,Chekmenev
12. Theoretical studies of structure and dynamics of molten salts: the LiF-ThF4 system. 13954-62页
作者:Jian-Biao,Liu; Xin,Chen; Yi-Heng,Qiu; Chao-Fei,Xu; W H Eugen,Schwarz; Jun,Li
13. Excited-state proton transfer dynamics of firefly's chromophore D-luciferin in DMSO-water binary mixture. 13946-53页
作者:Jagannath,Kuchlyan; Debasis,Banik; Arpita,Roy; Niloy,Kundu; Nilmoni,Sarkar
14. Understanding cage effects in imidazolium ionic liquids by 129Xe NMR: MD simulations and relativistic DFT calculations. 13963-8页
作者:Giacomo,Saielli; Alessandro,Bagno; Franca,Castiglione; Roberto,Simonutti; Michele,Mauri; Andrea,Mele
15. Distance geometry protocol to generate conformations of natural products to structurally interpret ion mobility-mass spectrometry collision cross sections. 13812-20页
作者:Sarah M,Stow; Cody R,Goodwin; Michal,Kliman; Brian O,Bachmann; John A,McLean; Terry P,Lybrand
16. Molecular simulation and experimental study of CO2 absorption in ionic liquid reverse micelle. 13870-81页
作者:Wei,Shi; Lei,Hong; Krishnan,Damodaran; Hunaid B,Nulwala; David R,Luebke
17. Excited-state proton transfer of photoacids adsorbed on biomaterials. 13859-69页
作者:Nadav,Amdursky; Ron,Simkovitch; Dan,Huppert
18. Theoretical insight into the coordination of cyclic β-D-glucose to [Al(OH)(aq)](2+) and [Al(OH)2(aq)](1+) ions. 13890-902页
作者:Meng-Fu,He; Hong-Quan,Fu; Ben-Fang,Su; Hua-Qing,Yang; Jin-Qiang,Tang; Chang-Wei,Hu
19. Ionic liquids at nonane-water interfaces: molecular dynamics studies. 13930-9页
作者:Sourav,Palchowdhury; B L,Bhargava
20. Effect of methyl-branched fatty acids on the structure of lipid bilayers. 13838-48页
作者:David,Poger; Bertrand,Caron; Alan E,Mark