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Total posts by MarvinSketch: 295

publication · 2 days ago
Ion-Pairing with Spermine Targets Theophylline To the Lungs via the Polyamine Transport System
by Jasminder Chana, Ben Forbes, Stuart A. Jones, Faiza Benaouda, Benedetta M. Dal Corno, David J. Barlow, Robert C. Hider, Clive P. Page (King’s College London)
publication · 2 days ago
From Click Chemistry to Cross-Coupling: Designer Polymers from One Efficient Reaction
by David H. Howe, Riki M. McDaniel, Andrew J. D. Magenau (Drexel University)
poster · 3 days ago
Partitioning kinetics of polar organic contaminants to Oasis HLB® as a function of pH and ionic strength for optimisation of passive sampling and solid phase extraction approaches
by Yoonah Jeong, Kilian E.C. Smith, Andreas Schäffer (Korea Institute of Science and Technology, Aachen University)
publication · 4 days ago
Application of phenol red as a marker ligand for bilirubin binding site at subdomain IIA on human serum albumin
by Jolanta Sochacka (Medical University of Silesia)
publication · 5 days ago
A Heteroaromatically Functionalized Hexamolybdate
by Merinda R. Healey, Stephen P. Best, Lars Goerigk, Chris Ritchie (University of Melbourne)
publication · 5 days ago
Antivirulent and Antibiofilm Salicylidene Acylhydrazide Complexes in Solution and at Interfaces
by Shoghik Hakobyan (Umeå University)
publication · 1 week ago
Structural characterization of form I of anhydrous rifampicin
by Amanda Laura Ibiapino, Rafael Cardoso Seiceira, Altivo Pitaluga Jr., Antonio Carlos Trindaded, Fabio Furlan Ferreira (Federal University of ABC (UFABC), Laboratory of Solid State Studies (LEES), Federal University of Rio de Janeiro (UFRJ), Federal Institute of São Paulo)
publication · 1 week ago
Structural Characterization of Alkylsilane and Fluoroalkylsilane Self- Assembled Monolayers on SiO2 by Molecular Dynamics Simulations
by Otello Maria Roscioni, Luca Muccioli, Alexander Mityashin, Jeró ̂me Cornil, Claudio Zannoni (Université de Bordeaux, Università di Bologna, Université de Mons)
publication · 1 week ago
Theoretical Study of Phosphoethanolamine: A Synthetic Anticancer Agent with Broad Antitumor Activity
by Vitor Prates Lorenzo, Francisco Jaime Bezerra Mendonça Júnior, José Maria Barbosa Filho, Luciana Scotti, Marcus Tullius Scotti (Federal University of Paraiba, Federal Institute of Sertao Pernambucano, State University of Paraiba)
publication · 1 week ago
Aromatic glycosyl disulfide derivatives: Evaluation of their inhibitory activities against Trypanosoma cruzi
by Bessy Gutiérrez, Christian Muñoz, Luis Osorio, Krisztina Fehér, Tünde-Zita Illyés, Zsuzsa Papp, Ambati Ashok Kumar, Katalin E. Kövér, Hernán Sagua, Jorge E. Araya, Patricio Morales, László Szilágyi, Jorge González (University of Antofagasta, University of Debrecen, University of Ghent)
publication · 1 week ago
Micropollutants in European Rivers: A Mode of Action Survey to Support the Development of Effect-Based Tools for Water Monitoring
by Martin Krauss, Tobias Schulze, Wibke Busch, Susanne Schmidt, Ralph Kuhne, Rolf Altenburger (UFZ-Helmholtz Centre for Environmental Research)
publication · 1 week ago
Novel Aldimine-Type Schiff Bases of 4-Amino-5-[(3,4,5- trimethoxyphenyl)methyl]-1,2,4-triazole-3-thione/thiol: Docking Study, Synthesis, Biological Evaluation, and Anti-Tubulin Activity
by Alieh Ameri, Ghadamali Khodarahmi, Farshid Hassanzadeh, Hamid Forootanfar, Gholam-Hosein Hakimelahi (Academia Sinica, Isfahan University of Medical Sciences, Kerman University of Medical Sciences)
publication · 1 week ago
Synthesis, biological evaluation and molecular docking of novel chalconeecoumarin hybrids as anticancer and antimalarial agents
by Chanin Nantasenamat, Virapong Prachayasittikul, Prasit Mandi, Supaluk Prachayasittikul, Ratchanok Pingaew, Amporn Saekee, Somsak Ruchirawat (Mahidol University, Srinakharinwirot University, Chulabhorn Research Institute, Center of Excellence on Environmental Health and Toxicology (EHT))
publication · 1 week ago
NANPDB: A Resource for Natural Products from Northern African Sources
by Fidele Ntie-Kang, Kiran K. Telukunta, Kersten Döring, Conrad V. Simoben, Aurelien F. A. Moumbock, Yvette I. Malange, Leonel E. Njume, Joseph N. Yong, Wolfgang Sippl, Stefan Günther (Martin-Luther University of Halle-Wittenberg, University of Buea, University of Freiburg)
publication · 1 week ago
Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case
by Giuliano Malloci, Giovanni Serra, Andrea Bosin, Attilio Vittorio Vargiu (Cittadella Universitaria, University of Cagliari)
publication · 1 week ago
Physicochemical properties of medicinal compounds in the World Health Organisation's anatomical therapeutic chemical classification
by Francesca Pace, Frederick Lia, Claude Farrugia (University of Malta)
publication · 1 week ago
Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK)
by Chih-Hsiang Tu, Wen-Hsing Lin, Yi-Hui Peng, Tsu Hsu, Jian-Sung Wu, Chun-Yu Chang, Cheng-Tai Lu, Ping-Chiang Lyu, Chuan Shih, Weir-Torn Jiaang, Su-Ying Wu (National Tsing Hua University, National Health Research Institutes)
publication · 2 weeks ago
Fixed bed adsorption of Methylene Blue by ultrasonic surface modified chitin supported on sand
by G.L.Dotto, J.M. Nascimento dos Santos, R.Rosa, L.A.A.Pinto, F.A.Pavan, E.C.Lima (Federal University of Rio Grande do Sul, Federal University of Santa Maria (UFSM), Federal University of Rio Grande (FURG), Federal University of Pampa)
publication · 2 weeks ago
Preparation, characterization and application of microwave-assisted activated carbons from wood chips for removal of phenol from aqueous solution
by Pascal S.Thue, Matthew A.Adebayo, Eder C.Lima, Joseph M.Sieliechi, Fernando M.Machado, G.L.Dotto, Julio C.P.Vaghetti, Silvio L.P.Dias (Federal University of Rio Grande do Sul (UFRGS), University of Ngaoundere, Federal University of Agriculture, Federal University of Pelotas (UFPEL), Federal University of Santa Maria (UFSM))
publication · 2 weeks ago
Structure and function of multidrug and toxin extrusion proteins (MATEs) and their relevance to drug therapy and personalized medicine
by Anne T. Nies, Katja Damme, Stephan Kruck, Elke Schaeffeler, Matthias Schwab (University of Tübingen, Dr. Margarete Fischer-Bosch Institute of Clinical Pharmacology (IKP))
publication · 2 weeks ago
Selectivity of solid phase extraction of freshwater dissolved organic matter and its effect on ultrahigh resolution mass spectra
by Thorsten Reemtsma, Julia Raeke, Oliver J. Lechtenfeld, Peter Herzsprungd, Martin Wagner
publication · 2 weeks ago
Synthesis, characterisation and in vitro investigation of photodynamic activity of 5-(4-octadecanamidophenyl)-10,15,20-tris(N- methylpyridinium-3-yl)porphyrin trichloride on HeLa cells using low light fluence rate
by Nela Malatesti, Anja Harej, Sandra Kraljevic Pavelica, Martin Loncaric, Hrvoje Zorc, Karlo Wittine, Uros Andjelkovic, Djuro Josic (University of Rijeka, Boskovic Radmile Institute)
publication · 2 weeks 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)
presentation · 1 month ago
ChemAxon Prodcut Portfolio
by Ákos Tarcsay (ChemAxon)
presentation · 8 months ago
D360 Express on ChemAxon technology
by David Lowis (Certara)
Partner
presentation · 1 year ago
Small Molecules in Big Data: Proceed with Caution!
by Tanya Kelley (University of Miami)
news · 2 years ago
ChemAxon European Annual Meeting (UGM), Budapest, May 24-26, 2016
by Wendy Warr (Wendy Warr & Associates)
meeting report
presentation · 2 years ago
ChemAxon and quattro research
by Cathrin Mayer (Quattro Research)
presentation · 2 years ago
Macromolecule registration and analysis
by Jan Holst Jensen (Biochemfusion)
presentation · 2 years ago
MarvinSketch in publication
by Eufrozina Hoffmann (ChemAxon)
news · 2 years ago
ChemAxon US User Group Meeting, September 29-30, 2015, San Diego California
by Wendy Warr (Wendy Warr & Associates)
meeting report
presentation · 2 years ago
The ChemAxon Story
by Aurora Costache (ChemAxon)
presentation · 2 years ago
MarvinSketch
by Eufrozina Hoffmann (ChemAxon)
presentation · 2 years ago
LiveDesign – Collaboration of Schrödinger and ChemAxon
by Sol Reisberg (Schrödinger)
Partner
presentation · 2 years ago
DeltaSoft and ChemAxon
by Diana Soto (DeltaSoft)
Partner
publication · 2 years ago
Navigating the chemical space of dipeptidyl peptidase-4 inhibitors
by Chanin Nantasenamat, Virapong Prachayasittikul, Teerawat Monnor, Watshara Shoombuatong, Veda Prachayasittikul, Nuttapat Anuwongcharoen, Napat Songtawee, Supaluk Prachayasittikul (Mahidol University)
publication · 2 years ago
N‑Methyldihydroquinazolinone Derivatives of Retro‑2 with Enhanced Efficacy against Shiga Toxin
by Romain Noel, Neetu Gupta, Valérie Pons, Amélie Goudet, Maria Daniela Garcia-Castillo, Aurélien Michau, Jennifer Martinez, David-Alexandre Buisson, Ludger Johannes, Daniel Gillet, Julien Barbier, Jean-Christophe Cintrat (Commissariat à l’énergie atomique (CEA), LabEx LERMIT)
publication · 2 years ago
Scaffold Hopping with Virtual Screening from IP3 to a Drug-Like Partial Agonist of the Inositol Trisphosphate Receptor
by Sridar R. Vasudevan, Nisha Singh, Grant C. Churchill (University of Oxford)
publication · 2 years ago
The CARLSBAD Database: A Confederated Database of Chemical Bioactivities
by Oleg Ursu, Cristian Bologa, Tudor I. Oprea, Jeremy J. Yang, Stephen L. Mathias, Jarrett Hines-Kay, Gergely Zahoránszky-Kőhalmi (University of New Mexico)
presentation · 2 years ago
Building a Symbiotic Informatics Platform to Support Drug Discovery
by Matthew Pustelnik (Global Blood Therapeutics)
presentation · 2 years ago
ChemAxon solutions in Japan
by Fumiaki Aruga (Patcore)
news · 2 years ago
ChemAxon EU User Group Meeting, May 19-20, Budapest
by Yvonne Martin (Martin Consulting)
meeting report
presentation · 3 years ago
Marvin
by Eufrozina Hoffmann (ChemAxon)
presentation · 3 years ago
ChemAxon and Quattro Research
by Cathrin Mayer (Quattro Research)
Partner
presentation · 3 years ago
A long time ago in a galaxy far, far away...
by Michael Dippolito (DeltaSoft)
Partner
presentation · 3 years ago
D360: A Scientific Data Access, Analysis and Collaboration Software
by Alexander Steudle (Certara)
Partner
presentation · 3 years ago
Macromolecules in microseconds
by Jan Holst Jensen (Biochemfusion)
Partner
presentation · 3 years ago
Process Performance - a software approach
by Andreas Nicklas (Anic)
Partner
presentation · 3 years ago
Linguamatics I2E: Providing Context to Chemistry
by Andrew Hinton (Linguamatics)
Partner
presentation · 3 years ago
Two sides of a migration process
by Gábor Pőcze, András Dancsó (ComCix, Egis Pharmaceuticals)
release · 3 years ago
Marvin 15.2.16
post · 3 years ago
Moving from your Java web editor to Marvin JS in one afternoon
by Frédéric Dedieu (ChemAxon)
news · 3 years ago
ChemAxon US User Group Meeting, September 25-26, Cambridge Massachusetts
by Yvonne Martin (Martin Consulting)
meeting report
tutorial · 3 years ago
Markush structure sketching and enumeration
by David Deng (ChemAxon)
release · 3 years ago
Marvin 14.12.1
release · 3 years ago
Marvin 14.11.10
release · 3 years ago
Marvin 14.10.20
poster · 3 years ago
CzeekD: A fragment-­‐based de novo drug design system for drug discovery
by Edmund Taylo (Kyoto Constella Technologies)
presentation · 3 years ago
LiveDesign - Schrödinger's Next Generation Platform for Collaborative Drug Design
by Mark Brewer (Schrödinger)
Partner
presentation · 3 years ago
Linguamatics Overview
by Susan LeBeau (Linguamatics)
Partner