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Total posts by Marvin: 154

publication · 9 months ago
MitoBlue: A Nontoxic and Photostable Blue-Emitting Dye That Selectively Labels Functional Mitochondria
by Mateo I. Sánchez, José Martínez-Costas, José L. Mascareñas, M. Eugenio Vázquez (Universidade de Santiago de Compostela)
publication · 9 months ago
Comprehensive structural analysis of the open and closed conformations of Theileria annulata enolase by molecular modelling and docking
by Ozal Mutlu, Sinem Yakarsonmez, Emrah Sariyer, Ozkan Danis, Basak Yuce-Dursun, Murat Topuzogullari, Ekrem Akbulut, Direk Turgut-Balik (Marmara University, Yıldız Technical University, Tunceli University)
publication · 9 months ago
One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid
by Nikoletta B. Báthori, Luigi R. Nassimbeni, Jacco van de Streek (University of Copenhagen, Cape Peninsula University of Technology)
publication · 9 months ago
Chemical Compounds and Biological Activity of an Extract from Bougainvillea X Buttiana (Var. Rose) Holttum and Stand
by RIGOBERTO VILLANUEVA GUERRERO, RODOLFO ABARCA-VARGAS, VERA L. PETRICEVICH (UAEM)
publication · 9 months ago
Combined In Situ and In Silico Studies of Guest Intercalation into the Layered Double Hydroxide [LiAl2(OH)6]X·yH2O
by Abdessamad Kaassis, Si-Min Xu, David G. Evans, Gareth R. Williams, Min Wei, Xue Duan (University College London, Beijing University)
publication · 9 months ago
A Comparative Study of 2D UMI and 3D Zernike Shape Descriptor for ATS Drugs Identification
by Satrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ajith Abraham (Technical University of Malaysia Malacca)
publication · 9 months ago
Prediction of human volume of distribution values for drugs using linear and nonlinear quantitative structure pharmacokinetic relationship models
by Vijay K. Agrawal, Bruno Louis (Sultan Qaboos University Hospital)
presentation · 10 months ago
ChemAxon Prodcut Portfolio
by Ákos Tarcsay (ChemAxon)
presentation · 10 months ago
Travelling in Time with ChemAxon
by Daniel Bonniot de Ruisselet (ChemAxon)
presentation · 10 months ago
Advances in Structure Search in Reaxys with Marvin JS
by Jim Rinker (ChemAxon, Elsevier)
Partner
presentation · 11 months ago
Software tools in the academic HTS workflow
by David Sedlák (Institute of Molecular Genomics)
news · 1 year ago
ChemAxon European User Meeting, Budapest, March 20-22, 2018
by Wendy Warr (ChemAxon, Wendy Warr & Associates)
Wendy Warr
presentation · 1 year ago
Marvin Live End User View
by Iván Solt, Alexander Schmalz (ChemAxon, Boehringer Ingelheim)
presentation · 1 year ago
Cheminformatics Solutions Portfolio
by Ákos Tarcsay (ChemAxon)
news · 1 year ago
ChemAxon US User Meeting, San Francisco, April 10-11, 2017
by Wendy Warr (Wendy Warr & Associates)
meeting report
presentation · 1 year ago
Finland's national matriculation exams go electronic
by Matti Lattu (Matriculation Exam Board of Finland)
presentation · 1 year ago
Closing the gap between organic synthesis and bioactive chemical space
by Gergely Makara (ChemPass)
Partner
presentation · 1 year ago
ChemAxon at Merck
by Elke Hofmann, Michael Hofmann (Merck)
presentation · 1 year ago
ChemAxon Portfolio Walk Through
by Ákos Tarcsay (ChemAxon)
presentation · 1 year ago
ChemAxon Marvin JS sketcher integration in Discngine Decision
by Sandra Plumas (Discngine)
presentation · 1 year ago
ChemAxon Portfolio Walk Through
by Aurora Costache (ChemAxon)
webinar · 1 year ago
IDBS & ChemAxon's Webinar: Showcasing the Best of Cheminformatics & Biologics in Data Management
by Anna Tomin, Ian Peirson (ChemAxon, IDBS)
presentation · 3 years ago
MarvinSketch
by Eufrozina Hoffmann (ChemAxon)
publication · 3 years ago
Do adsorbed drugs to P-glycoprotein influence its efflux capability?
by Ricardo J Ferreira, Daniel J. V. A. dos Santos, Maria-Jose U. Ferreira (Universidade de Lisboa)
publication · 3 years ago
Theoretical insight into the antioxidant properties of melatonin and derivatives
by Jeffrey R. Johns, James A. Platts (Khon Kaen University)
publication · 3 years ago
Metabolite profiling and beyond: approaches for the rapid processing and annotation of human blood serum mass spectrometry data
by Steffen Neumann, Jan Stanstrup, Michael Gerlich, Lars Ove Dragsted (University of Copenhagen)
publication · 3 years ago
LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries
by Tobias Kind, Oliver Fiehn, Yozo Okazaki, Kazuki Saito (University of California Davis, Chiba University)
publication · 6 years ago
The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks
by Neil Swainston, Kieran Smallbone, Pedro Mendes, Douglas B Kell, Norman W Paton (University of Manchester, Virginia Bioinformatics Institute)
publication · 6 years ago
Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties
by Martin Krauss, Tobias Schulze, Werner Brack, Emma L. Schymanski, Christine M. J. Gallampois, Markus Meringer, Steffen Neumann, Sebastian Wolf (Swiss Federal Institute of Aquatic Science and Technology, Linköping University, DLR – German Aerospace Centre - Remote Sensing Technology Institute, IPB – Leibniz Institute of Plant Biochemistry, Helmholtz Centre for Environmental Research)
publication · 6 years ago
Use of factorial design for the multivariate optimization of polypropylene membranes for the cleanup of environmental samples using the accelerated membrane-assisted cleanup approach
by Tobias Schulze, René Magerl, Georg Streck, Werner Brack (University of Applied Sciences, Helmholtz Centre for Environmental Research)
publication · 6 years ago
A Whole-Cell Computational Model Predicts Phenotype from Genotype
by Jonathan R. Karr, Jayodita C. Sanghvi, Derek N. Macklin, Miriam V. Gutschow, Jared M. Jacobs, Benjamin Bolival Jr., Nacyra Assad-Garcia, John I. Glass, Markus W. Covert (Stanford University, J. Craig Venter Institute)
presentation · 6 years ago
Chemical Structure Registration in a Diverse Chemical Company:  Unique, Complex, and ChemAxon.
by Becci Ruyts, Jim Engler (The Dow Chemical Company)
presentation · 6 years ago
Re-imagining Marvin
by Eufrozina Hoffmann (ChemAxon)
publication · 7 years ago
Future-proofing Cheminformatics Platforms
by Ian Berry, ChemAxon team, Becci Ruyts (ChemAxon, Evotec, The Dow Chemical Company)