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DL-丙氨酰-DL-丙氨酸

产品编号 A101173 | CAS号 2867-20-1 | Aladdin
DL-Ala-DL-Ala
97%
组合的产品项目
货号 规格 库存 价格 数量
A101173-1g 97% 上海(4)
北方(预计3-5个工作日)
 
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属性

密度 1.2080
熔点 268-270°C
存贮条件 贮存温度-20℃

描述

别名 DL-丙氨酰-DL-丙氨酸 ;DL-Alanyl-DL-alanine DL-丙氨酰-DL-氨基丙酸;DL-Alanyl-DL-alanine
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WGK德国 3
参考文献
Yannick G Spill, Guillaume Bouvier, Michael Nilges
Replica-exchange is a powerful simulation method for sampling the basins of a rugged energy landscape. The replica-exchange method's sampling is efficient because it allows replicas to perform ro...Read More
Matthias U MU Bohner, Johannes J K?stner
The calculation of free-energy barriers by umbrella sampling and many other methods is hampered by the necessity for an a priori choice of the reaction coordinate along which to sample. We avoid this ...Read More
Ming Chen, Michel A Cuendet, Mark E Tuckerman
We propose a general framework for the efficient sampling of conformational equilibria in complex systems and the generation of associated free energy hypersurfaces in terms of a set of collective var...Read More
Johannes G JG Beck, Jayanta J Chatterjee, Burkhardt B Laufer, Marelli Udaya MU Kiran, Andreas O AO Frank, Stefanie S Neubauer, Oded O Ovadia, Sarit S Greenberg, Chaim C Gilon, Amnon A Hoffman, Horst H Kessler
Insufficient oral bioavailability is considered as a key limitation for the widespread development of peptides as therapeutics. While the oral bioavailability of small organic compounds is often estim...Read More
Christian C Kramer, Peter P Gedeck, Markus M Meuwly
Currently, all standard force fields for biomolecular simulations use point charges to model intermolecular electrostatic interactions. This is a fast and simple approach but has deficiencies when the...Read More
Delphine D Patin, Julieanne J Bostock, Ian I Chopra, Dominique D Mengin-Lecreulx, Didier D Blanot
Chlamydiaceae are obligate intracellular bacteria that do not synthesise detectable peptidoglycan although they possess an almost complete arsenal of genes encoding peptidoglycan biosynthetic activiti...Read More
Johnny Wu, Xia Zhen, Hujun Shen, Guohui Li, Pengyu Ren
A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is describ...Read More
Wei-Na WN Du, Kristen A KA Marino, Peter G PG Bolhuis
We have applied the recently developed multiple state transition interface sampling approach to alanine dipeptide in explicit water. We extract the rate constant matrix for configurational changes bet...Read More
Yohei M YM Koyama, Tetsuya J TJ Kobayashi, Hiroki R HR Ueda
Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect...Read More
Jian Xie, Joshua G Pierce, Robert C James, Akinori Okano, Dale L Boger
The emergence of bacteria resistant to vancomycin, often the antibiotic of last resort, poses a major health problem. Vancomycin-resistant bacteria sense a glycopeptide antibiotic challenge and remode...Read More
Andrew L Ferguson, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, Ioannis G Kevrekidis
Nonlinear dimensionality reduction techniques can be applied to molecular simulation trajectories to systematically extract a small number of variables with which to parametrize the important dynamica...Read More
Xiongwu Wu, Bernard R Brooks
This work derives a quantitative description of the conformational distribution in self-guided Langevin dynamics (SGLD) simulations. SGLD simulations employ guiding forces calculated from local averag...Read More
M V Muftakhov, P V Shchukin
The processes of negative ions formation of dipeptides glycyl-glycine, glycyl-alanine and alanyl-alanine in the conditions of resonant electron capture have been studied with a help of negative ions m...Read More
Divesh Bhatt, Bin W Zhang, Daniel M Zuckerman
We extend the weighted ensemble (WE) path sampling method to perform rigorous statistical sampling for systems at steady state. A straightforward steady-state implementation of WE is directly practica...Read More
Ryan K RK Quinn, Amelia L AL Cianci, Jennifer A JA Beaudoin, Bianca R BR Sculimbrene
The alkene peptide isostere for the d-Ala-d-Ala dipeptide was synthesized via a convergent approach utilizing olefin cross-metathesis. The new isostere was then evaluated for binding to the last resor...Read More
Marie-Pierre MP Gaigeot
Following our previous work [J. Phys. Chem. B. Lett., 2009, 113, 10059], DFT-based molecular dynamics (DFTMD) simulations of 2-Ala peptide (i.e. Ac-Ala-NHMe dialanine peptide analog with methyl group ...Read More
Brian E McKinney, Joseph J Urban
The design of peptide mimetic compounds is greatly facilitated by the identification of functionalities that can act as peptide replacements. The fluoroalkene moiety has recently been employed for tha...Read More
Gareth A Prosser, Luiz Pedro S de Carvalho
d-cycloserine (DCS) is an antibiotic that is currently used in second-line treatment of tuberculosis. DCS is a structural analogue of d-alanine, and targets two enzymes involved in the cytosolic stage...Read More
Yutong Zhao, Fu Kit Sheong, Jian Sun, Pedro Sander, Xuhui Huang
We implemented a GPU-powered parallel k-centers algorithm to perform clustering on the conformations of molecular dynamics (MD) simulations. The algorithm is up to two orders of magnitude faster than ...Read More
Johannes J K?stner
Umbrella integration is a method to analyze umbrella sampling simulations. It calculates free-energy changes from distributions obtained from molecular dynamics. While it can be formulated on the full...Read More
Xiongwu Wu, Bernard R Brooks
The self-guided Langevin dynamics (SGLD) is a method to accelerate conformational searching. This method is unique in the way that it selectively enhances and suppresses molecular motions based on the...Read More
Rapha?l R Plasson, Maika M Tsuji, Masazumi M Kamata, Kouichi K Asakura
A good comprehension of the reactivity of peptides in aqueous solution is fundamental in prebiotic chemistry, namely for understanding their stability and behavior in primitive oceans. Relying on the ...Read More
Jessem J Landoulsi, Vincent V Dupres
We investigate the interaction between D-Ala-D-Ala peptide and a stainless steel (SS) surface by AFM force spectroscopy with view to understand the role and nature of interfacial processes at the sing...Read More
Elahe E Alizadeh, David D Gschliesser, Peter P Bartl, Michaela M Hager, Achim A Edtbauer, Violaine V Vizcaino, Andreas A Mauracher, Michael M Probst, Tilmann D TD M?rk, Sylwia S Ptasińska, Nigel J NJ Mason, Stephan S Denifl, Paul P Scheier
Dissociative electron attachment to dialanine and alanine anhydride has been studied in the gas phase utilizing a double focusing two sector field mass spectrometer. We show that low-energy electrons ...Read More
Satoru G SG Itoh, Hisashi H Okumura, Yuko Y Okamoto
We present a new type of the Hamiltonian replica-exchange method, where the van der Waals radius parameter and not the temperature is exchanged. By decreasing the van der Waals radii, which control sp...Read More
Shahab A SA Shamsi
A review is presented to highlight several approaches for coupling capillary electrophoresis (CE) and electrospray ionization-mass spectrometry (ESI-MS) for analysis of chiral compounds. A short discu...Read More
Pierina Sueli Bonato, Shifei Xia, Lan Zhang, Minghua Lu, Bin Qiu, Yuwu Chi, Guonan Chen
Enantiomer of chiral dipeptides were separated by CE-ESI-MS in a bare fused-silica capillary using (+)-(18-crown-6)-2,3,11,12-tetracarboxylic acid (18C6H4) as the chiral selector. As 18C6H4 is a kind ...Read More
Ana Maria Castilla, M Morgan Conn, Pablo Ballester
We present here the design, synthesis, and analysis of a series of receptors for peptide ligands inspired by the hydrogen-bonding pattern of protein β-sheets. The receptors themselves can be regarded...Read More