Products
Solutions
Support
Company
Log in
search
person_outline
menu
close
Products
Solutions
Support
Company
Total posts by MarvinSketch: 336
presentation
·
6 years ago
Balancing usability and power for creating chemistry on the web
by
Eufrozina Hoffmann
(
ChemAxon
)
presentation
·
6 years ago
Challenges and Approach in Migration of Chemistry Infrastructure for Systems and Applications
by
Zhenbin Li
,
Edith Richter
(
Boehringer Ingelheim
)
presentation
·
6 years ago
Evolution of the ChemAxon product portfolio
by
Petr Hamernik
,
András Strácz
,
Miklós Szabó
,
Aurora Costache
,
Doug Drake
(
ChemAxon
)
news
·
6 years ago
ChemAxon European User Group Meeting (UGM), Budapest, May 19-21, 2014
by
Wendy Warr
(
Wendy Warr & Associates
)
meeting report
publication
·
6 years ago
A Convenient Microwave-Assisted Propylphosphonic Anhydride (T3P®) Mediated One-Pot Pyrazolone Synthesis
by
Matthieu Desroses
,
Marie-Caroline Jacques-Cordonnier
,
Sabin Llona-Minguez
,
Sylvain Jacques
,
Tobias Koolmeister
,
Thomas Helleday
,
Martin Scobie
(
Karolinska Institute
)
Medicinal chemistry
Nitrogen heterocycles
Cyclization
Microwave chemistry
Phosphorus
publication
·
6 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
(
Centre National pour la Recherche Scientifique (CNRS)
,
LabEx LERMIT
)
publication
·
6 years ago
idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach
by
Jui-Chih Wang
,
Pei-Ying Chu
,
Chung-Ming Chen
,
Jung-Hsin Lin
(
Academia Sinica
,
National Taiwan University
)
publication
·
6 years ago
New route to the 5-((arylthio- and heteroarylthio)methylene)- 3-(2,2,2-trifluoroethyl)-furan-2(5H)-ones—Key intermediates in the synthesis of 4-aminoquinoline γ-lactams as potent antimalarial compounds
by
Oleksandr S. Kanishchev
,
Adeline Lavoignat
,
Stéphane Picot
,
Maurice Médebielle
,
Jean-Philippe Bouillon
(
Université et Institut National des Sciences Appliquées (INSA) de Rouen
,
Université de Lyon
)
Antimalarial
Fluorine
Lactone
Lactam
Aminoquinoline
presentation
·
6 years ago
Compound logistics in dynamic environments
by
Bernhard Schirm
(
Quattro Research
)
Partner
presentation
·
6 years ago
Chemical Text Mining With I2E
by
Guy Singh
(
Linguamatics
)
Partner
presentation
·
6 years ago
LabWare Overview
by
Mark Gonzalez
(
LabWare
)
Partner
presentation
·
6 years ago
Hall of mirrors - Reflections on protein registration
by
Jan Holst Jensen
(
Biochemfusion
)
Partner
publication
·
7 years ago
QSAR Study Of Anti-Prion Activity Of 2-Aminothiazoles
by
Chanin Nantasenamat
,
Virapong Prachayasittikul
,
Chartchalerm Isarankura Na Ayudhya
,
Prasit Mandi
,
Kakanand Srungboonmee
(
Mahidol University
)
QSAR
2-aminothiazole
anti-prion
multiple linear regression
artificial neural network
support vector machine
publication
·
7 years ago
PITPs as targets for selectively interfering with phosphoinositide signaling in cells
by
Alexander Tropsha
,
Aaron H Nile
,
Ashutosh Tripathi
,
Peihua Yuan
,
Carl J Mousley
,
Sundari Suresh
,
Iain Michael Wallace
,
Sweety DShah
,
Denise Teotico Pohlhaus
,
Brenda Temple
,
Corey Nislow
,
Guri Giaever
,
Ronald W Davis
,
Robert P St Onge
,
Vytas A Bankaitis
(
Stanford University
,
University of British Columbia
,
Texas A&M University College Station
,
University of North Carolina
)
publication
·
7 years ago
Molecular determinants of ivermectin sensitivity at the glycine receptor chloride channel
by
Timothy Lynagh
,
Timothy I. Webb
,
Christine L. Dixon
,
Brett A. Cromer
,
Joseph W. Lynch
(
The University of Queensland
,
RMIT University
)
Chloride Channels
Drug Action
Membrane Biophysics
Neurotransmitter Receptors
Parasitology
Cys-loop Receptor
Binding Site
Electrophysiology
Molecular Docking
Site-directed Mutagenesis
publication
·
7 years ago
Diprotonation process of meso-tetraphenylporphyrin derivatives designed for Photodynamic Therapy of cancers: From Multivariate Curve Resolution to predictive QSPR modeling
by
Benoît Chauvin
,
Athena Kasselouri
,
Pierre Chaminade
,
Rita Quiameso
,
Ioannis Nicolis
,
Philippe Maillard
,
Patrice Prognon
(
Université Paris Descartes (Paris 5)
,
Université Paris-Sud
)
publication
·
7 years ago
Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
by
Jerome Wielens
,
Stephen J. Headey
,
David I. Rhodes
,
Roger J. Mulder
,
Olan Doleza
,
John J. Deadman
,
Janet Newman
,
David K. Chalmers
,
Michael W. Parker
,
Thomas S. Peat
,
Martin J. Scanlon
(
Monash University
,
St. Vincent’s Institute
,
Avexa Pty Ltd
,
CSIRO Materials
,
The University of Melbourne
)
fragment-based drug design
HIV-1 integrase
nuclear magnetic resonance
surface plasmon resonance
X-ray crystallography
publication
·
7 years ago
Linear and Nonlinear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality
by
Peter Wipf
,
Lirong Wang
,
Xiang-Qun Xie
,
Chao Ma
(
University of Pittsburgh
)
publication
·
7 years ago
Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase
by
Olga Senkovich
,
Norbert Schormann
,
Debasish Chattopadhyay
,
Bidhan Shinkre
,
Sadanandan E. Velu
,
Srinivasan Murugesan
,
Kiera Walker
,
Bala C. Chenna
,
Amar Desai
(
University of Alabama at Birmingham
)
publication
·
7 years ago
Synthetic Approaches To Obtain Amino Acid Adducts of 4,4'- Methylenediphenyl Diisocyanate
by
Gabriele Sabbioni
,
Siegfried Schneider
,
Anoop Kumar
,
Nagaraju Dongari
(
Tulane University
)
presentation
·
7 years ago
CyBy2: A modular Rich Client for the chemical and biological Information Management
by
Stefan Höck
(
Zurich University of Applied Sciences
)
presentation
·
7 years ago
Large and smaller - how to approach a relationship to get the best results
by
Edith Richter
(
Boehringer Ingelheim
)
presentation
·
7 years ago
Evolution of the ChemAxon product portfolio
by
Petr Hamernik
,
Iván Solt
,
András Strácz
,
Miklós Szabó
,
Tim Aitken
(
ChemAxon
)
poster
·
7 years ago
Mycobacterium tuberculosis Type-II NADH dehydrogenase (NDH-2) Catalytic Mechanism and Mode of Action of NDH-2 Inhibitors
by
Takahiro Yano
,
Miriam Rahimian
,
Kawalpreet K. Aneja
,
Norman Schechter
,
Charles P. Scott
,
Harvey Rubin
(
University of Pennsylvania
)
publication
·
7 years ago
Quantum Biochemistry Description of the Human Dopamine D3 Receptor in Complex with the Selective Antagonist Eticlopride
by
Geancarlo Zanatta
,
Ito L. Barroso-Neto
,
Victorio Bambini-Junior
,
Mellanie F. Dutra
,
Eveline M. Bezerra
,
Roner F. da Costa
,
Ewerton W. S. Caetano
,
Benildo S. Cavada
,
Valder N. Freire
,
Carmem Gottfried
(
Federal University of Rio Grande do Sul
,
Federal University of Ceará
,
Federal Institute of Education
)
publication
·
7 years ago
Enhanced ranking of PknB Inhibitors using data fusion methods
by
Abhik Seal
,
Perumal Yogeeswari
,
Dharmaranjan Sriram
,
OSDD Consortium
,
David J Wild
(
Birla Institute of Technology
,
Indiana University Bloomington
)
publication
·
7 years ago
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculations
by
Bert L. de Groot
,
Vytautas Gapsys
,
Daniel Seeliger
(
Max Planck Institute for Biophysical Chemistry
,
Boehringer Ingelheim Pharma GmbH
)
publication
·
7 years ago
MetRxn:A knowledgebase of metabolites and reactions spanning metabolic models and databases
by
Akhil Kumar
,
Patrick F Suthers
,
Costas D Maranas
(
Pennsylvania State University
)
publication
·
7 years ago
Molecular Docking characterizes substrate-binding sites and efflux modulation mechanisms within P-glycoprotein
by
Ricardo J Ferreira
,
Maria José Umbelino Ferreira
,
Daniel J. V. A. dos Santos
(
University of Lisbon
,
University of Porto
)
P-glycoprotein
docking
substrate-binding sites
efflux mechanism
publication
·
7 years ago
Computational methods applied to the discovery of stem cell factor ligands
by
Stefano Alcaro
,
Lorenzo Gontrani
,
Ottaviano Incani
,
Francesco Ortuso
(
Università degli Studi “Magna Græcia” di Catanzaro
,
Consorzio per le Applicazioni di Supercalcolo Per Università e Ricerca (CASPUR)
)
virtual screening
SCF
c-kit
Molecular dynamics
NCI-diversity database
Protein–protein interface
publication
·
7 years ago
Reconciliation of metabolites and biochemical reactions for metabolic networks
by
Anne Morgat
,
Alan Bridge
,
Thomas Bernard
,
Sébastien Moretti
,
Ioannis Xenarios
,
Marco Pagni
(
SIB Swiss Institute of Bioinformatics
,
University of Lausanne
)
cheminformatics
data integration
data interoperability
metabolic resources
metabolic networks
tutorial
·
7 years ago
Drawing "AURORA" in less than 20 seconds using MarvinSketch 6.1 from ChemAxon
by
Aurora Costache
(
ChemAxon
)
tutorial
·
7 years ago
Introduction to ChemAxon's Drawing Tool: MarvinSketch 6.0
by
Aurora Costache
(
ChemAxon
)
presentation
·
7 years ago
CRAIS Transformer - Generates breakthrough ideas for lead optimization
by
Yoshiko Matsumoto
(
Patcore
)
Partner
presentation
·
7 years ago
Chemically Informed Text Mining
by
Susan LeBeau
(
Linguamatics
)
Partner
presentation
·
7 years ago
LabWare Overview
by
Keith Wipprecht
(
LabWare
)
Partner
presentation
·
7 years ago
Consulting Services in Research Informatics
by
John McNeil
(
John McNeil & Co
)
Partner
presentation
·
7 years ago
Discovery in a Box: Integrated Suite of Applications Supporting the Discovery Process
by
Yvonne Shimshock
(
DeltaSoft
)
Partner
publication
·
7 years ago
PNA-Peptide Assembly in a 3D DNA Nanocage at Room Temperature
by
Justin D. Flory
,
Sandip Shinde
,
Su Lin
,
Yan Liu
,
Hao Yan
,
Giovanna Ghirlanda
,
Petra Fromme
(
Arizona State University
)
publication
·
7 years ago
Transition metal mediated synthesis using [11C]CO at low pressure - a simplified method for 11C-carbonylation
by
Jonas Eriksson
,
Johan van den Hoek
,
Albert D. Windhorst
(
VU University Medical Center
)
publication
·
7 years ago
Synthesis ofwater-compatibleimprintedpolymersof in situ produced fructosazineand2,5-deoxyfructosazine
by
Jean-Marc Seigneuret
,
Luigi A. Agrofoglio
,
Nathaly Henry
,
Raphael Delepee
(
Université d'Orléans
,
Alban Muller International
)
publication
·
7 years ago
Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics
by
Roberto Olivares-Amaya
,
Johannes Hachmann
,
Sule Atahan-Evrenk
,
Carlos Amador-Bedolla
,
Roel S. Sánchez-Carrera
,
Alán Aspuru-Guzik
(
Harvard University
,
Universidad Nacional Autónoma de México
)
publication
·
7 years ago
Virtual and Biophysical Screening Targeting the γ- Tubulin Complex - A New Target for the Inhibition of Microtubule Nucleation
by
Olivier Cala
,
Marie-Helene Remy
,
Valerie Guillet
,
Andreas Merdes
,
Lionel Mourey
,
Alain Milon
,
Georges Czaplicki
(
Universite de Toulouse
)
presentation
·
7 years ago
DeltaSoft/ChemAxon Tools Empowering Screening, Lead Compound Discovery, SAR optimization for GPCR Targets in the RTI Drug Discovery Center
by
Danni Harris
(
RTI International
)
presentation
·
7 years ago
Recent Improvements in Marvin 6.0 Version: Reaction Atom Mapping and its Application to Reaction Validation in Pharmaceutical ELNs
by
Roger Sayle
,
Daniel M. Lowe
(
NextMove Software
)
presentation
·
7 years ago
Classic and New Flavors in Marvin
by
Eufrozina Hoffmann
(
ChemAxon
)
publication
·
7 years ago
A biomimetic Protein G affinity adsorbent: an Ugi ligand for immunoglobulins and Fab fragments based on the third IgG-binding domain of Protein G
by
Graziella El Khoury
,
Christopher R. Lowe
(
University of Cambridge
)
publication
·
7 years ago
Paramagnetic Nuclear Magnetic Resonance Relaxation and Molecular Mechanics Studies of the Chloroperoxidase-Indole Complex: Insights into the Mechanism of Chloroperoxidase- Catalyzed Regioselective Oxidation of Indole
by
Rui Zhang
,
Qinghao He
,
David Chatfield
,
Xiaotang Wang
(
Florida International University
)
publication
·
7 years ago
Separation of Amino Acid 2,4-Dinitrophenyl-5-L-Valine Amide Diastereomeric Derivatives with High-Performance Planar Chromatography and Pressurized Planar Electrochromatography
by
Beata Polak
,
Karolina Balasa
,
Tadeusz H. Dzido
(
Medical University of Lublin
)
publication
·
7 years ago
Synthesis of New Quinolinequinone Derivatives and Preliminary Exploration of their Cytotoxic Properties
by
Charles M. Keyari
,
Alison K. Kearns
,
Nathan S. Duncan
,
Emily A. Eickholt
,
Geoffrey Abbott
,
Howard D. Beall
,
Philippe Diaz
(
University of Montana
)
presentation
·
7 years ago
Drugs inhibiting slow delayed rectifying potassium current (IKs) - literature data analysis and predictive model development
by
Sebastian Polak
,
Aleksander Mendyk
,
Barbara Wiśniowska
,
Anna Glinka
,
Kamil Fijorek
(
Jagiellonian University
)
presentation
·
7 years ago
New 6.0 release bits
by
Aurora Costache
(
ChemAxon
)
poster
·
7 years ago
Chemical library design: Conception and development of a web-based application
by
Bernd Rupp
,
Martyna Pawletta
,
Raed Al-Yamori
,
Michael Lisurek
,
Ronald Kühne
(
Leibniz-Institut für Molekulare Pharmakologie (FMP)
)
presentation
·
7 years ago
What does D360 do? What makes it unique?
by
Andrew Daniel
(
Tripos
)
Partner
presentation
·
7 years ago
Sysment: ELN and Consultancy
by
Zsolt Skribanek
(
Sysment
)
Partner
presentation
·
7 years ago
Live Design: The Next Generation Drug Design Platform
by
Andreas Witte
(
Schrödinger
)
Partner
presentation
·
7 years ago
[email protected]
by
Jonathan Davies
(
IDBS
)
Partner
presentation
·
7 years ago
ChemCart Integration with ChemAxon
by
Diana Soto
(
DeltaSoft
)
Partner
presentation
·
7 years ago
Sequence or structure - "You say tomaytoe, I say tomahto"
by
Jan Holst Jensen
(
Biochemfusion
)
Partner
presentation
·
7 years ago
ELN CHEMLAB - New ELN WEB2.0 from AgiLab
by
Renaud Acker
(
AgiLab
)
Partner
keyboard_arrow_left
1
2
3
4
5
6
keyboard_arrow_right