2010年第114卷46期
共72篇1. Influence of the lipid phase state and electrostatic surface potential on the conformations of a peripherally bound membrane protein. 15141-50页
作者:María B,Decca; Vanesa V,Galassi; Massimiliano,Perduca; Hugo L,Monaco; Guillermo G,Montich
2. A theoretical investigation of the photophysical consequences of major plant light-harvesting complex aggregation within the photosynthetic membrane. 15244-53页
作者:C D P,Duffy; M P,Johnson; M,Macernis; L,Valkunas; W,Barford; A V,Ruban
3. Molecular simulations of CO2 and H2 sorption into ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) confined in carbon nanotubes. 15029-41页
作者:Wei,Shi; Dan C,Sorescu
5. Rate enhancement of an interfacial biochemical reaction through localization of substrate and enzyme by an adaptor domain. 15113-8页
作者:Jing,Li; Satish,Nayak; Milan,Mrksich
6. Mechanism of formation and construction of self-assembled myoglobin/hyaluronic acid multilayer films: an electrochemical QCM, impedance, and AFM study. 15354-61页
作者:E M,Pinto; M M,Barsan; C M A,Brett
7. Hydration structure of the quaternary ammonium cations. 15018-28页
作者:Wojtek Iwo,Babiaczyk; Sara,Bonella; Leonardo,Guidoni; Giovanni,Ciccotti
8. Protein simulations with an optimized water model: cooperative helix formation and temperature-induced unfolded state collapse. 14916-23页
作者:Robert B,Best; Jeetain,Mittal
9. Disordered versus fibril-like amyloid β (25-35) dimers in water: structure and thermodynamics. 15288-95页
作者:Madeleine,Kittner; Volker,Knecht
10. Statistical rate theory insight into evaporation and condensation in multicomponent systems. 15052-6页
作者:Atam,Kapoor; Janet A W,Elliott
11. Unique crystalline/crystalline polymer blends of poly(ethylene succinate) and poly(p-dioxanone): miscibility and crystallization behaviors. 14827-33页
作者:Jian-Bing,Zeng; Qun-Ying,Zhu; Yi-Dong,Li; Zhi-Cheng,Qiu; Yu-Zhong,Wang
12. Toluene-filled polypyrrole microvessels: entrapment and dynamics of encapsulated perylene. 14890-6页
作者:Daria,Kubacka; Paweł,Krysiński; Gary J,Blanchard; Jarosław,Stolarski; Maciej,Mazur
13. Synthesis of a novel hydrazone derivative and biophysical studies of its interactions with bovine serum albumin by spectroscopic, electrochemical, and molecular docking methods. 14842-53页
作者:Fang-Fang,Tian; Feng-Lei,Jiang; Xiao-Le,Han; Chen,Xiang; Yu-Shu,Ge; Jia-Han,Li; Yue,Zhang; Ran,Li; Xin-Liang,Ding; Yi,Liu
14. Vibrational analysis of amino acids and short peptides in hydrated media. VIII. Amino acids with aromatic side chains: L-phenylalanine, L-tyrosine, and L-tryptophan. 15319-30页
作者:Belén,Hernández; Fernando,Pflüger; Alain,Adenier; Sergei G,Kruglik; Mahmoud,Ghomi
16. Density functional theory calculations on ruthenium(IV) bis(amido) porphyrins: search for a broader perspective of heme protein compound II intermediates. 15380-8页
作者:Emmanuel,Gonzalez; Penelope J,Brothers; Abhik,Ghosh
17. Adsorption of nonionic surfactants (CnEm) at the silica-water and cellulose-water interface. 14977-82页
作者:Suprita K,Singh; Shannon M,Notley
18. Soft wall ion channel in continuum representation with application to modeling ion currents in α-hemolysin. 15180-90页
作者:Nikolay A,Simakov; Maria G,Kurnikova
19. 1H hyperfine interactions in the Mn-cluster of photosystem II in the S2 state detected by hyperfine sublevel correlation spectroscopy. 15345-53页
作者:Jesús I,Martínez; Inmaculada,Yruela; Rafael,Picorel; Pablo J,Alonso
21. Molecular dynamics simulations on the mechanism of transporting methylamine and ammonia by ammonium transporter AmtB. 15172-9页
作者:Jinan,Wang; Huaiyu,Yang; Zhili,Zuo; Xiuhua,Yan; Yong,Wang; Xiaomin,Luo; Hualiang,Jiang; Kaixian,Chen; Weiliang,Zhu
22. Synthesis, characterization, and modeling of naphthyl-terminated sp carbon chains: dinaphthylpolyynes. 14834-41页
作者:Franco,Cataldo; Luca,Ravagnan; Eugenio,Cinquanta; Ivano Eligio,Castelli; Nicola,Manini; Giovanni,Onida; Paolo,Milani
23. Fusion-relevant changes in lipid shape of hydrated cholesterol hemisuccinate induced by pH and counterion species. 14941-6页
作者:Benjamin,Klasczyk; Steffen,Panzner; Reinhard,Lipowsky; Volker,Knecht
24. Configuration changes of conducting channel network in Nafion membranes due to thermal annealing. 14989-94页
作者:Osung,Kwon; Shijie,Wu; Da-Ming,Zhu
25. Influence of CdSe/ZnS quantum dots in the polymerization process and in the grating recording in acrylate materials. 14807-14页
作者:Anne,Barichard; Tigran,Galstian; Yaël,Israëli
26. Trapping single molecules in liposomes: surface interactions and freeze-thaw effects. 15191-8页
作者:Baoxu,Liu; Amir,Mazouchi; Claudiu C,Gradinaru
27. Free energy surfaces from single-distance information. 15227-35页
作者:Philipp,Schuetz; René,Wuttke; Benjamin,Schuler; Amedeo,Caflisch
28. Effect of perfluoroalkyl chain length on proton conduction in fluoroalkylated phosphonic, phosphinic, and sulfonic acids. 14972-6页
作者:Mahesha B,Herath; Stephen E,Creager; Alex,Kitaygorodskiy; Darryl D,DesMarteau
29. Glycosidic-bond hydrolysis mechanism catalyzed by cellulase Cel7A from Trichoderma reesei: a comprehensive theoretical study by performing MD, QM, and QM/MM calculations. 15261-8页
作者:Jinghua,Li; Likai,Du; Lushan,Wang
30. Tuning the optical characteristics of poly(p-phenylenevinylene) by in situ au nanoparticle generation. 14821-6页
作者:Gunin,Saikia; A,Murugadoss; Pranjol Jyoti,Sarmah; Arun,Chattopadhyay; Parameswar Krishnan,Iyer
31. Thermodynamic properties of N-isopropylacrylamide in water: solubility transition, phase separation of supersaturated solution, and glass formation. 14995-5002页
作者:Shigeo,Sasaki; Satoshi,Okabe; Yuji,Miyahara
32. Diffusion-dependent mechanisms of receptor engagement and viral entry. 15403-12页
作者:Melissa M,Gibbons; Tom,Chou; Maria R,D'Orsogna
33. Modeling the Cu+ binding in the 1-16 region of the amyloid-β peptide involved in Alzheimer's disease. 15119-33页
作者:Sara,Furlan; Christelle,Hureau; Peter,Faller; Giovanni,La Penna
34. Hydration analysis of antiviral agent AZT by means of DFT and MP2 calculations. 15199-211页
作者:M,Alcolea Palafox; Jéssica,Talaya
35. Quantum refinement of protein structures: implementation and application to the red fluorescent protein DsRed.M1. 15413-23页
作者:Ya-Wen,Hsiao; Elsa,Sanchez-Garcia; Markus,Doerr; Walter,Thiel
36. Detection of T-T mismatches using mass spectrometry: specific interactions of Hg(II) with oligonucleotides rich in thymine (T). 15106-12页
作者:Janna,Anichina; Zoya,Dobrusin; Diethard K,Bohme
37. Toward an alternative intrinsic probe for spectroscopic characterization of a protein. 15236-43页
作者:Nirmal,Goswami; Abhinandan,Makhal; Samir Kumar,Pal
38. Receptacle model of salting-in by tetramethylammonium ions. 15085-91页
作者:Barbara,Hribar-Lee; Ken A,Dill; Vojko,Vlachy
39. Interfacial behavior of surfactin at the decane/water interface: a molecular dynamics simulation. 14947-54页
作者:Hong-Ze,Gang; Jin-Feng,Liu; Bo-Zhong,Mu
40. Effect of pressure on tautomers' equilibrium in supercooled glibenclamide drug: analysis of fragility behavior. 14815-20页
作者:Z,Wojnarowska; K,Adrjanowicz; K,Kaminski; L,Hawelek; M,Paluch
41. Investigation of the local structure in sub and supercritical ammonia using the nearest neighbor approach: a molecular dynamics analysis. 15003-10页
作者:I,Vyalov; M,Kiselev; T,Tassaing; J C,Soetens; A,Idrissi
42. Vibrational Stark effect spectroscopy at the interface of Ras and Rap1A bound to the Ras binding domain of RalGDS reveals an electrostatic mechanism for protein-protein interaction. 15331-44页
作者:Amy J,Stafford; Daniel L,Ensign; Lauren J,Webb
43. Effects of inorganic and organic salts on aggregation behavior of cationic gemini surfactants. 14955-64页
作者:Defeng,Yu; Xu,Huang; Manli,Deng; Yiyang,Lin; Lingxiang,Jiang; Jianbin,Huang; Yilin,Wang
44. Stability of perpendicular and parallel lamellae within lamellae of multiblock terpolymers. 14875-83页
作者:Yuci,Xu; Weihua,Li; Feng,Qiu; Yuliang,Yang; An-Chang,Shi
45. "Amphiphilic" ionic liquid in a mixture of nonionic liquids: theoretical study. 15066-74页
作者:Artem A,Aerov; Alexei R,Khokhlov; Igor I,Potemkin
46. Gas-phase structure and fragmentation pathways of singly protonated peptides with N-terminal arginine. 15092-105页
作者:Benjamin J,Bythell; István P,Csonka; Sándor,Suhai; Douglas F,Barofsky; Béla,Paizs
47. 1-Naphthol as a sensitive fluorescent molecular probe for monitoring the interaction of submicellar concentration of bile salt with a bilayer membrane of DPPC, a lung surfactant. 14934-40页
作者:Monalisa,Mohapatra; Ashok K,Mishra
48. On the origin of fluorescence in bacteriophytochrome infrared fluorescent proteins. 15362-9页
作者:Alex A,Samma; Chelsea K,Johnson; Shuang,Song; Samuel,Alvarez; Marc,Zimmer
49. Phase behavior and 13C NMR spectroscopic analysis of the mixed methane + ethane + propane hydrates in mesoporous silica gels. 15079-84页
作者:Seungmin,Lee; Inuk,Cha; Yongwon,Seo
50. Self-assembled microstructures of confined rod-coil diblock copolymers by self-consistent field theory. 14897-906页
作者:Guang,Yang; Ping,Tang; Yuliang,Yang; Qiang,Wang
51. Femtosecond to microsecond photochemistry of a [FeFe]hydrogenase enzyme model compound. 15370-9页
作者:Spyridon,Kaziannis; Stefano,Santabarbara; Joseph A,Wright; Gregory M,Greetham; Michael,Towrie; Anthony W,Parker; Christopher J,Pickett; Neil T,Hunt
52. Effect of ionic liquid on prototropic and solvatochromic behavior of fluorescein. 15042-51页
作者:Maroof,Ali; Poulami,Dutta; Siddharth,Pandey
53. A density-functional study of heterometallic Cr-based molecular rings. 14797-806页
作者:V,Bellini; M,Affronte
54. Water structure at aqueous solution surfaces of atmospherically relevant dimethyl sulfoxide and methanesulfonic acid revealed by phase-sensitive sum frequency spectroscopy. 14983-8页
作者:Xiangke,Chen; Heather C,Allen
55. Phase equilibria and modeling of pyridinium-based ionic liquid solutions. 15011-7页
作者:Urszula,Domańska; Marek,Królikowski; Deresh,Ramjugernath; Trevor M,Letcher; Kaniki,Tumba
56. FRET efficiency distributions of multistate single molecules. 15221-6页
作者:Irina V,Gopich; Attila,Szabo
57. Mechanism of xylobiose hydrolysis by GH43 β-xylosidase. 15389-93页
作者:Ian J,Barker; Luis,Petersen; Peter J,Reilly
58. Excited-state vibrational coherence in methanol solution of Zn(II) tetrakis(N-methylpyridyl)porphyrin: charge-dependent intermolecular mode frequencies and implications for electron-transfer dynamics in photosynthetic reaction centers. 15269-77页
作者:Kevin L,Dillman; Warren F,Beck
59. Nonsteroidal anti-inflammatory drug naproxen destabilizes Aβ amyloid fibrils: a molecular dynamics investigation. 15394-402页
作者:Takako,Takeda; Rashmi,Kumar; E Prabhu,Raman; Dmitri K,Klimov
60. Determination of energies and sites of binding of PFOA and PFOS to human serum albumin. 14860-74页
作者:Matteo,Salvalaglio; Isabella,Muscionico; Carlo,Cavallotti
61. Explanation of experimental results of mixed micelles of homologous surfactants through a MM2 bidimensional modeling. 14924-33页
作者:María Luján,Ferreira; María Belén,Sierra; Marcela A,Morini; José Luis,Rodríguez; Rossana,Minardi; Pablo C,Schulz
62. Crystallinity of purple membranes comprising the chloride-pumping bacteriorhodopsin variant D85T and its modulation by pH and salinity. 15424-8页
作者:Daniel,Rhinow; Ivan,Chizhik; Roelf-Peter,Baumann; Frank,Noll; Norbert,Hampp
63. Molecular mechanism of CO2 and SO2 molecules binding to the air/liquid interface of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid: a molecular dynamics study with polarizable potential models. 14965-71页
作者:Collin D,Wick; Tsun-Mei,Chang; Liem X,Dang
64. Improved density functional description of the electrochemistry and structure-property descriptors of substituted flavins. 14907-15页
作者:Michael A,North; Sudeep,Bhattacharyya; Donald G,Truhlar
65. Local structure in ionic liquids investigated by hyper-Rayleigh scattering. 15057-65页
作者:V,Rodriguez; J,Grondin; F,Adamietz; Y,Danten
66. New insights into the structures of ligand-quadruplex complexes from molecular dynamics simulations. 15301-10页
作者:Jin-Qiang,Hou; Shuo-Bin,Chen; Jia-Heng,Tan; Tian-Miao,Ou; Hai-Bin,Luo; Ding,Li; Jun,Xu; Lian-Quan,Gu; Zhi-Shu,Huang
67. Synthesis, photophysical properties, and self-assembly behavior of amphiphilic polyfluorene: unique dual fluorescence and its application as a fluorescent probe for the mercury ion. 14884-9页
作者:Linna,Zhu; Jingui,Qin; Chuluo,Yang
68. pH dependence of the conformation of small peptides investigated with two-dimensional vibrational spectroscopy. 15212-20页
作者:Adriana,Huerta-Viga; Daniel J,Shaw; Sander,Woutersen
69. QM/MM study on the reaction mechanism of O6-alkylguanine-DNA alkyltransferase. 15296-300页
作者:Qianqian,Hou; Likai,Du; Jun,Gao; Yongjun,Liu; Chengbu,Liu
70. Sequence-selective binding of phenazinium dyes phenosafranin and safranin O to guanine-cytosine deoxyribopolynucleotides: spectroscopic and thermodynamic studies. 15278-87页
作者:Ishita,Saha; Maidul,Hossain; Gopinatha,Suresh Kumar