Electronic configuration assignment and the importance of low-lying excited states in high-spin imidazole-ligated iron(II) porphyrinatesCHUANJIANG HU; ROTH, Arne; ELLISON, Mary K et al.Journal of the American Chemical Society. 2005, Vol 127, Num 15, pp 5675-5688, issn 0002-7863, 14 p.Article

Electronic and geometric structures of the blue copper site of azurin investigated by QM/MM hybrid calculationsKANG, Jiyoung; OHTA, Takehiro; HAGIWARA, Yohsuke et al.Journal of physics. Condensed matter (Print). 2009, Vol 21, Num 6, issn 0953-8984, 064235.1-064235.8Conference Paper

Conformation and Dynamics of a Cyclic Disulfide-Bridged Peptide: Effects of Temperature and SolventLI, Fee; BRAVO-RODRIGUEZ, Kenny; PHILLIPS, Charlotte et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 13, pp 3560-3570, issn 1520-6106, 11 p.Article

Estimating Side-Chain Order in [U-²H;¹³CH₃]-Labeled High Molecular Weight Proteins from Analysis of HMQC/HSQC SpectraTUGARINOV, Vitali; KAY, Lewis E.The Journal of physical chemistry. B. 2013, Vol 117, Num 13, pp 3571-3577, issn 1520-6106, 7 p.Article

Large Spectral Change due to Amide Modes of a β-Sheet upon the Formation of an Early Photointermediate of Middle RhodopsinFURUTANI, Yuji; OKITSU, Takashi; REISSIG, Louisa et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 13, pp 3449-3458, issn 1520-6106, 10 p.Article

Thermostabilization of the β₁-Adrenergic Receptor Correlates with Increased Entropy of the Inactive StateNIESEN, Michiel J. M; BHATTACHARYA, Supriyo; GRISSHAMMER, Reinhard et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 24, pp 7283-7291, issn 1520-6106, 9 p.Article

Transient Helical Structure during PI3K and Fyn SH3 Domain FoldingMATSUMURA, Yoshitaka; SHINJO, Masaji; SEUNG JOONG KIM et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 17, pp 4836-4843, issn 1520-6106, 8 p.Article

Biomolecular Simulations with the Transferable Potentials for Phase Equilibria: Extension to PhospholipidsBHATNAGAR, Navendu; KAMATH, Ganesh; POTOFF, Jeffrey J et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 34, pp 9910-9921, issn 1520-6106, 12 p.Article

Changes to the Structure and Dynamics in Mutations of Aβ_21-30 Caused by Ions in SolutionSMITH, Micholas Dean; CRUZ, Luis.The Journal of physical chemistry. B. 2013, Vol 117, Num 48, pp 14907-14915, issn 1520-6106, 9 p.Article

Conformers of Cysteine and Cysteine Sulfenic Acid and Mechanisms of the Reaction of Cysteine Sulfenic Acid with 5,5-Dimethyl-1,3-cyclohexanedione (Dimedone)FREEMAN, Fillmore; ADESINA, Ifeoluwa Taiwo; LE LA, Julie et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 50, pp 16000-16012, issn 1520-6106, 13 p.Article

Examination of Tyrosine/Adenine Stacking Interactions in Protein ComplexesCOPELAND, Kari L; PELLOCK, Samuel J; COX, James R et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 45, pp 14001-14008, issn 1520-6106, 8 p.Article

FCS Study of the Structural Stability of Lysozyme in the Presence of Morpholinium SaltsPABBATHI, Ashok; GHOSH, Shalini; SAMANTA, Anunay et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 51, pp 14587-14593, issn 1520-6106, 7 p.Article

First Steps in Growth of a Polypeptide toward β-Sheet StructureADHIKARI, Upendra; SCHEINER, Steve.The Journal of physical chemistry. B. 2013, Vol 117, Num 39, pp 11575-11583, issn 1520-6106, 9 p.Article

Force-Induced Unzipping Transitions in an Athermal Crowded EnvironmentPINCUS, David L; THIRUMALAI, D.The Journal of physical chemistry. B. 2013, Vol 117, Num 42, pp 13107-13114, issn 1520-6106, 8 p.Article

Isosteric and Nonisosteric Base Pairs in RNA Motifs: Molecular Dynamics and Bioinformatics Study of the Sarcin―Ricin Internal LoopHAVRILA, Marek; REBLOVA, Kamila; ZIRBEL, Craig L et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 46, pp 14302-14319, issn 1520-6106, 18 p.Article

Modulation of Aβ(1―40) Peptide Fibrillar Architectures by Aβ-Based Peptide AmphiphilesCHENGQIAN HE; YUCHUN HAN; LINYI ZHU et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 36, pp 10475-10483, issn 1520-6106, 9 p.Article

Quantum Mechanics-Based Scoring Rationalizes the Irreversible Inactivation of Parasitic Schistosoma mansoni Cysteine Peptidase by Vinyl Sulfone InhibitorsFANFRLIK, Jindřich; BRAHMKSHATRIYA, Pathik S; REZAC, Jan et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 48, pp 14973-14982, issn 1520-6106, 10 p.Article

Simulation of the Amide I Infrared Spectrum in Photoinduced Peptide Folding/Unfolding TransitionsZANETTI-POLZI, Laura; ASCHI, Massimiliano; AMADEI, Andrea et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 41, pp 12383-12390, issn 1520-6106, 8 p.Article

Transferable Mixing of Atomistic and Coarse-Grained Water ModelsGONZALEZ, Humberto C; DARRE, Leonardo; PANTANO, Sergio et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 46, pp 14438-14448, issn 1520-6106, 11 p.Article

Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34MILLER, Simon; TAVSHANJIAN, Brandon; OLEKSY, Arkadiusz et al.Science (Washington, D.C.). 2010, Vol 327, Num 5973, pp 1638-1642, issn 0036-8075, 5 p.Article

Structure Determination of a Flexible Cyclic Peptide Based on NMR and MD Simulation 3J-CouplingGATTIN, Zrinka; ZAUGG, Judith; VAN GUNSTEREN, Wilfred F et al.ChemPhysChem (Print). 2010, Vol 11, Num 4, pp 830-835, issn 1439-4235, 6 p.Article

The role of secondary structure in protein structure selectionJI, Yong-Yun; LI, You-Quan.The European physical journal. E, Soft matter (Print). 2010, Vol 32, Num 1, pp 103-107, issn 1292-8941, 5 p.Article

Selection of a buried salt bridge by phage displayVAGT, Toni; JÄCKEL, Christian; SAMSONOV, Sergey et al.Bioorganic & medicinal chemistry letters (Print). 2009, Vol 19, Num 14, pp 3924-3927, issn 0960-894X, 4 p.Article

A Competitive Inhibitor Traps LeuT in an Open-to-Out ConformationSINGH, Satinder K; PISCITELLI, Chayne L; YAMASHITA, Atsuko et al.Science (Washington, D.C.). 2008, Vol 322, Num 5908, pp 1655-1661, issn 0036-8075, 7 p.Article

Funnels in energy landscapesKLEMM, K; FLAMM, C; STADLER, P. F et al.The European physical journal. B, Condensed matter physics (Print). 2008, Vol 63, Num 3, pp 387-391, issn 1434-6028, 5 p.Conference Paper