Search results for "Cyclodextrin"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
204	Waraporn Parasuk, Vudhichai Parasuk	Ab initio Study of Chiral Recognition of beta-Butyrolactone by Cyclodextrins.	International Conference on Computational Science (3)	2006	DBLP DOI BibTeX RDF
111	Hongwei Zhou, Wai-Ping Lai, Zhiqiang Zhang, Wai-Kee Li, Hon-Yeung Cheung	Computational study on the molecular inclusion of andrographolide by cyclodextrin.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Andrographolide, Cyclodextrin, Inclusion complex, Hydrogen bond
60	Ning Li, Xiao-Li Xiong, Ren-Bing Li	Adsorption and Desorption Behaviors of 4-Cresol on ss-Cyclodextrin Polymer.	ESIAT (1)	2009	DBLP DOI BibTeX RDF	adsorption, desorption, 4-cresol, cyclodextrin Polymer
54	K. Kellett, David R. Slochower, Michael Schauperl, B. M. Duggan, Michael K. Gilson	Experimental characterization of the association of β-cyclodextrin and eight novel cyclodextrin derivatives with two guest compounds.	J. Comput. Aided Mol. Des.	2021	DBLP DOI BibTeX RDF
51	Youngjin Choi, Sung-Ryul Kim, Suntae Hwang, Karpjoo Jeong	A Grid Computing-Based Monte Carlo Docking Simulations Approach for Computational Chiral Discrimination.	RSFDGrC (2)	2005	DBLP DOI BibTeX RDF
27	Jyotsnamayee Nayak, Ashita Sood, Mahesh Kulharia, Suban K. Sahoo, Rajender Kumar	Structural Distortion of β-Cyclodextrin Plays a Key Role in the pH-dependent Host-Guest Chemistry with Doxorubicin, Evident by the Electrochemical and Molecular Dynamics Approach.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
27	Rong Wang, Shulong Wang, Caihong Qin, Qiyang Nie, Yougang Luo, Qi-Pin Qin, Ruijuan Wang, Baiquan Liu, Dongxiang Luo	An Electrochemical Sensor Based on Electropolymerization of β-Cyclodextrin on Glassy Carbon Electrode for the Determination of Fenitrothion.	Sensors	2023	DBLP DOI BibTeX RDF
27	Michihiro Hara, Takao Umeda, Hiroyuki Kurata	Fabrication and Characterisation of Organic EL Devices in the Presence of Cyclodextrin as an Interlayer.	Sensors	2021	DBLP DOI BibTeX RDF
27	Aleksandra Kaleniecka, Elzbieta Wlodarczyk, Krzysztof Piaskowski, Lucyna Lewandowska, Pawel K. Zarzycki	Unexpected Encapsulation of Selected Polycyclic Aromatic Hydrocarbons by β-Cyclodextrin Studied Using UV-Vis Spectrophotometry, Micro-Planar Chromatography and Temperature Dependent Inclusion Chromatography.	Symmetry	2020	DBLP DOI BibTeX RDF
27	Andreea Milan, Gabriel Hancu, Daniela Lupu, Monica Budau, Vladimir Garaj, Hajnal Kelemen	Venlafaxine Chiral Separation by Capillary Electrophoresis Using Cyclodextrin Derivatives as Chiral Selector and Experimental Design Method Optimization.	Symmetry	2020	DBLP DOI BibTeX RDF
27	Piotr Cysewski, Maciej Przybylek	Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String.	Symmetry	2019	DBLP DOI BibTeX RDF
27	Dimas Suárez, Natalia Díaz	Affinity Calculations of Cyclodextrin Host-Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
27	A. Ye. Malmakova, V. K. Yu, N. U. Kystaubayeva, A. G. Zazybin, T. E. Li	β-Cyclodextrin Inclusion Complex with Dimethyl[4-hydroxypiperidin-4-yl]Phosphonates as Green Plant Growth Stimulators.	ICBBB	2019	DBLP DOI BibTeX RDF
27	Rui Zhao 0007, Bin Li, Yong Wang 0012, Wenping Hu	Click Access to a Cyclodextrin-Based Spatially Confined AIE Material for Hydrogenase Recognition.	Sensors	2018	DBLP DOI BibTeX RDF
27	Xiaoyang Du, Xiaoxia Zhang, Chunlai Jiang, Weilu Zhang, Lizhu Yang	The Trace Detection of Nitrite Ions Using Neutral Red Functionalized SH-β-Cyclodextrin @Au Nanoparticles.	Sensors	2018	DBLP DOI BibTeX RDF
27	Kyriaki Hatziagapiou, Maria Braoudaki, Kostas Bethanis, Konstantina Yannakopoulou, Athanasios Anastasiou, Georgia D. Koutsouri, Dimitrios D. Koutsouris, George I. Lambrou	Computational analysis of Gefitinib and methylated-hydroxypropylated cyclodextrin inclusion complexes for the treatment of childhood malignancies.	BHI	2018	DBLP DOI BibTeX RDF
27	Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua	Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics.	J. Chem. Inf. Model.	2017	DBLP DOI BibTeX RDF
27	Lei Ouyang, Zuyan Jiang, Nan Wang, Lihua Zhu, Heqing Tang	Rapid Surface Enhanced Raman Scattering (SERS) Detection of Sibutramine Hydrochloride in Pharmaceutical Capsules with a β-Cyclodextrin- Ag/Polyvivnyl Alcohol Hydrogel Substrate.	Sensors	2017	DBLP DOI BibTeX RDF
27	Haiyang Zhang, Chunhua Yin, Hai Yan, David van der Spoel	Evaluation of Generalized Born Models for Large Scale Affinity Prediction of Cyclodextrin Host-Guest Complexes.	J. Chem. Inf. Model.	2016	DBLP DOI BibTeX RDF
27	Sergey Shityakov, Ramin Ekhteiari Salmas, Serdar Durdagi, Ellaine Salvador, Katalin Pápai, Maria Josefa Yáñez-Gascón, Horacio Pérez Sánchez, István Puskás, Norbert Roewer, Carola Förster, Jens-Albert Broscheit	Characterization, in Vivo Evaluation, and Molecular Modeling of Different Propofol-Cyclodextrin Complexes To Assess Their Drug Delivery Potential at the Blood-Brain Barrier Level.	J. Chem. Inf. Model.	2016	DBLP DOI BibTeX RDF
27	Xiaoli Li, Rui Zhao 0007, Xiaoying Tang, Yanyan Shi, Chunyi Li, Yong Wang 0012	One-Pot Click Access to a Cyclodextrin Dimer-Based Novel Aggregation Induced Emission Sensor and Monomer-Based Chiral Stationary Phase.	Sensors	2016	DBLP DOI BibTeX RDF
27	Qi Xiao, Shuangyan Lu, Chusheng Huang, Wei Su, Shan Huang	Novel N-Doped Carbon Dots/β-Cyclodextrin Nanocomposites for Enantioselective Recognition of Tryptophan Enantiomers.	Sensors	2016	DBLP DOI BibTeX RDF
27	Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua	Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer.	J. Chem. Inf. Model.	2015	DBLP DOI BibTeX RDF
27	Yong Pan, Ning Mu, Shengyu Shao, Liu Yang, Wen Wang, Xiao Xie, Shitang He	Selective Surface Acoustic Wave-Based Organophosphorus Sensor Employing a Host-Guest Self-Assembly Monolayer of β-Cyclodextrin Derivative.	Sensors	2015	DBLP DOI BibTeX RDF
27	Sami Elhag, Zafar Hussain Ibupoto, Omer Nur, Magnus Willander	Incorporating β-Cyclodextrin with ZnO Nanorods: A Potentiometric Strategy for Selectivity and Detection of Dopamine.	Sensors	2014	DBLP DOI BibTeX RDF
27	Reda Mohamed Hamou, Abdelmalek Amine, Ali Rahmouni, Ahmed Chaouki Lokbani, Michel Simonet	Modeling of Inclusion by Genetic Algorithms: Application to the Beta-Cyclodextrin and Triphenylphosphine.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
27	Luminta Fritea, Mihaela Tertis, Cecilia Cristea, Robert Sandulescu	New β-Cyclodextrin Entrapped in Polyethyleneimine Film-Modified Electrodes for Pharmaceutical Compounds Determination.	Sensors	2013	DBLP DOI BibTeX RDF
27	Milind M. Deshmukh, Libero J. Bartolotti, Shridhar R. Gadre	Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers.	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
27	Phendukani Ncube, Rui W. Krause, Bhekie B. Mamba	Fluorescent Sensing of Chlorophenols in Water Using an Azo Dye Modified β-Cyclodextrin Polymer.	Sensors	2011	DBLP DOI BibTeX RDF
27	Cesar A. López, Alex H. de Vries, Siewert J. Marrink	Molecular Mechanism of Cyclodextrin Mediated Cholesterol Extraction.	PLoS Comput. Biol.	2011	DBLP DOI BibTeX RDF
27	Chawan Manaspon, Pinunta Nittayacharn, Ketpat Vejjasilpa, Chayut Fongsuk, Norased Nasongkla	SN-38: β-cyclodextrin inclusion complex for in situ solidifying injectable polymer implants.	EMBC	2011	DBLP DOI BibTeX RDF
27	Eszter Hazai, Istvan Hazai, Laszlo Demko, Sandor Kovacs, David Malik, Peter Akli, Péter Hári, Julianna Szeman, Eva Fenyvesi, Edina Benes	Cyclodextrin knowledgebase a web-based service managing CD-ligand complexation data.	J. Comput. Aided Mol. Des.	2010	DBLP DOI BibTeX RDF
27	Elise Deunf	Préparation, Caractérisation et Activation Electrochimique de Nouveaux Complexes Métallo-Cyclodextrines. (Preparation, characterization and electrochemical activation of new metallo-capped-cyclodextrin complexes).		2010	RDF
27	Roberto Esposito, Giuseppe Ermondi, Giulia Caron	OpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexes.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF
27	Benjaporn Treetharnmathurot, Chitchamai Ovatlarnporn, Juraithip Wungsinthaweekul, Ruedeekorn Wiwattanapatapee	Chemical modification and thermal stability study of ss-cyclodextrin- and PAMAM-trypsin conjugates.	NEMS	2009	DBLP DOI BibTeX RDF
27	Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek	Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies.	J. Chem. Inf. Model.	2004	DBLP DOI BibTeX RDF
27	Akihiro Takahashi, Hak Soo Choi, Tooru Ooya, Nobuhiko Yui	Molecular Recognition System Controlled by Thermosensitive Complexation Using Cyclodextrin-Conjugated Poly(e-lysine)s.	ICMENS	2004	DBLP DOI BibTeX RDF
27	Ernesto Estrada, Iliana Perdomo-López, Juan J. Torres-Labandeira	Combination of 2D-, 3D-Connectivity and Quantum Chemical Descriptors in QSPR. Complexation of - and -Cyclodextrin with Benzene Derivatives.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
27	Roland G. Winkler, S. Fioravanti, G. Ciccotti, C. Margheritis, M. Villa	Hydration of beta-cyclodextrin: A molecular dynamics simulation study.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
27	Lei Liu 0002, Qing-Xiang Guo	Wavelet Neural Network and Its Application to the Inclusion of -Cyclodextrin with Benzene Derivatives.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
27	Delbert R. Black, Craig G. Parker, S. Scott Zimmerman, Milton L. Lee	Enantioselective binding of -pinene and of some cyclohexanetriol derivatives by cyclodextrin hosts: A molecular modeling study.	J. Comput. Chem.	1996	DBLP DOI BibTeX RDF
27	Wolfgang Linert, Peter Margl, István Lukovits	Numerical Minimization Procedures in Molecular Mechanics: Structural Modelling of the Solvation of -Cyclodextrin.	Comput. Chem.	1992	DBLP DOI BibTeX RDF
27	Alfred S. Kostense, Steven P. van Helden, Lambert H. M. Janssen	Modeling and conformation analysis of β-cyclodextrin complexes.	J. Comput. Aided Mol. Des.	1991	DBLP DOI BibTeX RDF
27	David E. Hill, Robert Aldape, J. David Rozzell	Nucleotide sequence of a cyclodextrin glucosyltransferase gene, cgtA, from Bacillus licheniformis.	Nucleic Acids Res.	1990	DBLP DOI BibTeX RDF
25	Alexandru-Adrian Tantar, Nouredine Melab, El-Ghazali Talbi	A grid-based genetic algorithm combined with an adaptive simulated annealing for protein structure prediction.	Soft Comput.	2008	DBLP DOI BibTeX RDF
25	Alexandru-Adrian Tantar, Nouredine Melab, El-Ghazali Talbi	A Comparative Study of Parallel Metaheuristics for Protein Structure Prediction on the Computational Grid.	IPDPS	2007	DBLP DOI BibTeX RDF