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Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with cautionGOERIGK, Lars; KARTON, Amir; MARTIN, Jan M. L et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 19, pp 7028-7031, issn 1463-9076, 4 p.Article

Conformational Dynamics of an ATP-Binding DNA Aptamer: A Single-Molecule StudyTIE XIA; JINGHE YUAN; XIAOHONG FANG et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 48, pp 14994-15003, issn 1520-6106, 10 p.Article

Conformational Propensities of Intrinsically Disordered Proteins from NMR Chemical Shifts : NMR SpectroscopyKRAGELJ, Jaka; OZENNE, Valéry; BLACKLEDGE, Martin et al.ChemPhysChem (Print). 2013, Vol 14, Num 13, pp 3034-3045, issn 1439-4235, 12 p.Article

Deciphering the Catalysis-Associated Conformational Changes of Human Adenylate Kinase 1 with Single-Molecule SpectroscopyLIN, Chien Y; HUANG, Jung Y; LO, Leu-Wei et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 45, pp 13947-13955, issn 1520-6106, 9 p.Article

Exploring the Possible Role of Glu286 in CcO by Electrostatic Energy Computations Combined with Molecular DynamicsWOELKE, Anna Lena; GALSTYAN, Gegham; GALSTYAN, Artur et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 41, pp 12432-12441, issn 1520-6106, 10 p.Article

Familial Alzheimer's Disease Osaka Mutant (ΔE22) β-Barrels Suggest an Explanation for the Different Aβ1―40/42 Preferred Conformational States Observed by ExperimentHYUNBUM JANG; ARCE, Fernando Teran; RAMACHANDRAN, Srinivasan et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 39, pp 11518-11529, issn 1520-6106, 12 p.Article

Mapping Protein Conformational Energy Landscapes Using NMR and Molecular Simulation : NMR SpectroscopyGUERRY, Paul; MOLLICA, Luca; BLACKLEDGE, Martin et al.ChemPhysChem (Print). 2013, Vol 14, Num 13, pp 3046-3058, issn 1439-4235, 13 p.Article

Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic TetrapeptideFEE LI; BRAVO-RODRIGUEZ, Kenny; FERNANDEZ-OLIVA, Miguel et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 37, pp 10785-10791, issn 1520-6106, 7 p.Article

pH-Induced Conformational Change and Dimerization of DNA Chains Investigated by Analytical UltracentrifugationSHA WU; XIAOYAN WANG; XIAODONG YE et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 39, pp 11541-11547, issn 1520-6106, 7 p.Article

Solution and Gas-Phase H/D Exchange of Protein-Small-Molecule Complexes: Cex and Its InhibitorsYANG KANG; TERRIER, Peran; CHUANFAN DING et al.Journal of the American Society for Mass Spectrometry. 2012, Vol 23, Num 1, pp 57-67, issn 1044-0305, 11 p.Article

Effects of Fluorine Substitution on the Shape of Neurotransmitters: the Rotational Spectrum of 2-(2-Fluorophenyl)EthanamineMELANDRI, Sonia; MERLONI, Anna; MARIS, Assimo et al.ChemPhysChem (Print). 2012, Vol 13, Num 15, pp 3504-3509, issn 1439-4235, 6 p.Article

Protein activity regulation by conformational entropyTZENG, Shiou-Ru; KALODIMOS, Charalampos G.Nature (London). 2012, Vol 488, Num 7410, pp 236-240, issn 0028-0836, 5 p.Article

Statistical Analysis of Ion Mobility Spectrometry. II. Adaptively Biased Methods and Shape CorrelationsCALVO, Florent; CHIROT, Fabien; ALBRIEUX, Florian et al.Journal of the American Society for Mass Spectrometry. 2012, Vol 23, Num 7, pp 1279-1288, issn 1044-0305, 10 p.Article

Secondary structure formation of homopolymeric single-stranded nucleic acids including force and loop entropy: Implications for DNA hybridizationEINERT, T. R; ORLAND, H; NETZ, R. R et al.The European physical journal. E, Soft matter (Print). 2011, Vol 34, Num 6, issn 1292-8941, 55.1-55.15Article

Domain-Specific Folding Kinetics of Staphylococcal Nuclease Observed through Single-Molecule FRET in a Microfluidic MixerZEYONG ZHI; LIU, Pengcheng; PENG WANG et al.ChemPhysChem (Print). 2011, Vol 12, Num 18, pp 3515-3518, issn 1439-4235, 4 p.Article

Exploring the Drug-Binding Site Sudlow I of Human Serum Albumin: The Role of Water and Trp214 in Molecular Recognition and Ligand BindingABOU-ZIED, Osama K; AL-LAWATIA, Najla.ChemPhysChem (Print). 2011, Vol 12, Num 2, pp 270-274, issn 1439-4235, 5 p.Article

Conformational dynamics and internal friction in homopolymer globules: equilibrium vs. non-equilibrium simulationsEINERT, T. R; SING, C. E; ALEXANDER-KATZ, A et al.The European physical journal. E, Soft matter (Print). 2011, Vol 34, Num 12, issn 1292-8941, 130.1-130.16Article

Heterogeneous Triangular Structures of Human Islet Amyloid Polypeptide (Amylin) with Internal Hydrophobic Cavity and External Wrapping Morphology Reveal the Polymorphic Nature of Amyloid FibrilsJUN ZHAO; XIANG YU; GUIZHAO LIANG et al.Biomacromolecules. 2011, Vol 12, Num 5, pp 1781-1794, issn 1525-7797, 14 p.Article

High-Speed Atomic Force Microscopy Reveals Rotary Catalysis of Rotorless F1-ATPaseUCHIHASHI, Takayuki; IINO, Ryota; ANDO, Toshio et al.Science (Washington, D.C.). 2011, Vol 333, Num 6043, pp 755-758, issn 0036-8075, 4 p.Article

Efficient and Approximate Simulation Algorithm of Kinetic Folding of an RNA MoleculeTANIGAWA, Takumi; KOBAYASHI, Satoshi.Parallel and distributed processing techniques and applications. International conferenceWorldComp'2011. 2011, pp 706-712, isbn 1-60132-193-7 1-60132-194-5 1-60132-195-3, 7 p.Conference Paper

Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptorBOKOCH, Michael P; YAOZHONG ZOU; PUGLISI, Joseph D et al.Nature (London). 2010, Vol 463, Num 7277, pp 108-112, issn 0028-0836, 5 p.Article

Raman Spectra of the Phycoviolobilin Cofactor in Phycoerythrocyanin Calculated by QM/MM MethodsMROGINSKI, Maria A; KAMINSKI, Steve; HILDEBRANDT, Peter et al.ChemPhysChem (Print). 2010, Vol 11, Num 6, pp 1265-1274, issn 1439-4235, 10 p.Article

Structure of the torque ring of the flagellar motor and the molecular basis for rotational switchingLEE, Lawrence K; GINSBURG, Michael A; CROVACE, Claudia et al.Nature (London). 2010, Vol 466, Num 7309, pp 996-1000, issn 0028-0836, 5 p.Article

Effects of Supercharging Reagents on Noncovalent Complex Structure in Electrospray Ionization from Aqueous SolutionsSTERLING, Harry J; DALY, Michael P; FELD, Geoffrey K et al.Journal of the American Society for Mass Spectrometry. 2010, Vol 21, Num 10, pp 1762-1774, issn 1044-0305, 13 p.Article

Single-molecule analysis of Mss116-mediated group II intron foldingKARUNATILAKA, Krishanthi S; SOLEM, Amanda; PYLE, Anna Marie et al.Nature (London). 2010, Vol 467, Num 7318, pp 935-939, issn 0028-0836, 5 p.Article

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