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Total posts by MarvinSketch: 335

publication · 8 years ago
Distributed Drug Discovery, Part 1: Linking Academia and Combinatorial Chemistry to Find Drug Leads for Developing World Diseases
by William L. Scott, Martin J. O'Donnell (Purdue University, Indiana University)
publication · 8 years ago
Residue Preference Mapping of Ligand Fragments in the Protein Data Bank
by Peter Wipf, Lirong Wang, Zhaojun Xie, Xiang-Qun Xie (University of Pittsburgh)
publication · 8 years ago
Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate
by Olga Senkovich, Norbert Schormann, Debasish Chattopadhyay (University of Alabama at Birmingham)
publication · 8 years ago
Solvation Parameters of Solutes: An Attempt of Improvements in Characterization and Determination
by Paul Laffort, Pierre Héricourt (Centre National pour la Recherche Scientifique (CNRS))
presentation · 8 years ago
The Lilly Open Innovation Drug Discovery Program
by Daniel Robertson (Eli Lilly and Co.)
presentation · 8 years ago
Pearson Education and ChemAxon: Partnership to develop educational MarvinSketch
by Jeanne Zalesky, Laura Loiselle, Seann Ives (Pearson Education)
presentation · 8 years ago
Exploring and Visualisation of Chemistry in patents with Marvin and Instant JChem
by Alexander Klenner (Fraunhofer Institute for Algorithms and Scientific Computing)
presentation · 8 years ago
Re-imagining Marvin
by Eufrozina Hoffmann (ChemAxon)
tutorial · 9 years ago
MarvinSketch - Drawing a Markush structure
(ChemAxon)
publication · 9 years ago
Chemoinformatics: Theory, Practice and Products; Chapter 2.7
by Barry Bunin, Jurgen Bajorath, Brian Siesel, Guillermo Morales (Collaborative Drug Discovery, University of Bonn)
publication · 9 years ago
The Quantitative Structure-Retention Relationship (QSRR) analysis of some centrally acting antihypertensives and diuretics
by Katarina M. Nikolic, Slavica Filipic, Danica Agbaba, Mitja Krizman (University of Belgrade)
publication · 9 years ago
Application of RP-TLC technique for the determination of dissociation constants of 1-substituted pyrrolidin-2-one derivatives
by Katarzyna Kulig, Karolina Rybicka, Barbara Malawska (Jagiellonian University)
publication · 9 years ago
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers
by Alban Arrault, Aurelien Monge, Christophe Marot, Luc Morin-Allory (Université d'Orléans, Centre National pour la Recherche Scientifique (CNRS))
presentation · 9 years ago
The Evolution of the Broad Chemical Biology Informatics Platform
by Benjamin Alexander (Broad Institute)
publication · 9 years ago
Acetic Acid Aldose Reductase Inhibitors Bearing a Five-Membered Heterocyclic Core with Potent Topical Activity in a Visual Impairment Rat Model
by Concettina La Motta, Stefania Sartini, Silvia Salerno, Francesca Simorini, Sabrina Taliani, Anna Maria Marini, Federico Da Settimo, Luciana Marinelli, Vittorio Limongelli, Ettore Novellino (Università degli Studi di Pisa)
publication · 9 years ago
Distributed Chemical Computing Using ChemStar: An Open Source Java Remote Method Invocation Architecture Applied to Large Scale Molecular Data from PubChem
by Anil Kumar Pandey, Alexander Tropsha, Andreas Bender, Muthukumarasamy Karthikeyan, S. Krishnan (National Chemical Laboratory)
publication · 9 years ago
Log D: Lipophilicity for ionisable compounds
by Melanie Kah, Colin D. Brown (Central Science Laboratory, University of York)
publication · 9 years ago
Molecules from the Minkowski space: an approach to building 3D molecular structures
by Gábor Imre, András Volford, Ödön Farkas, Gábor Veress (Eötvös Loránd University)
publication · 9 years ago
Microbial Pathway Prediction: A Functional Group Approach
by Bo Kyeng Hou, Lawrence P. Wackett, Lynda B. M. Ellis (University of Minnesota)
publication · 9 years ago
BioSilico: an integrated metabolic database system
by Bo Kyeng Hou, Jin Sik Kim, Ji Hoon Jun, Dong Lee-Yup, Yong Wook Kim, Sujin Chae, Mira Roh, Yong In-Ho, Sang Yup Lee (Korea Advanced Institute of Science and Technology)
publication · 9 years ago
Structure-Activity Relationships for NAMI-A-type Complexes (HL)[trans-RuCl4L(S-dmso)ruthenate(III)] (L = Imidazole, Indazole, 1,2,4-Triazole, 4-Amino-1,2,4-triazole, and 1-Methyl-1,2,4-triazole):? Aquation, Redox Properties, Protein Binding, and Antiproliferative Activity
by Michael Groessl, Erwin Reisner, Christian G. Hartinger, Rene Eichinger, Andrei R. Timerbaev, Vladimir B. Arion (University of Vienna)
publication · 9 years ago
Modeling the activity of furin inhibitors using artificial neural network
by Apilak Worachartcheewan, Chanin Nantasenamat, Thanakorn Naenna, Virapong Prachayasittikul, Chartchalerm Isarankura Na Ayudhya (Mahidol University)
publication · 9 years ago
iPHACE: integrative navigation in pharmacological space
by Oleg Ursu, Tudor I. Oprea, Garcia- Ricard Serna, Jordi Mestres (Institut Municipal d’Investigació Mèdica, Universitat Pompeu Fabra)
publication · 9 years ago
EPOCH: An Organic Chemistry Homework Program That Offers Response-Specific Feedback to Students
by Robert B. Grossman, Raghu Ram Chamala, Roxana Ciochina, Raphael A. Finkel, Saravana Kannan, Prasanth Ramachandran (University of Kentucky)
presentation · 9 years ago
Collaborative R&D
by Derek Hayes (KineMatik)
Partner
presentation · 9 years ago
AKos overview
by Hans Jürgen Himmler (AKos GmbH)
Partner
presentation · 9 years ago
Marvin 5.4 - A new generation of structure indexing at Elsevier
by Heike Nau (Elsevier)
presentation · 9 years ago
Utilizing Marvin in rich internet applications using Microsoft  Silverlight
by Hans Jürgen Himmler (AKos GmbH)
presentation · 10 years ago
Quicker, better, sketcher
by Ákos Papp (ChemAxon)
presentation · 10 years ago
JChem Extensions
by Takahiro Ohshima (Infocom Corporation)
Partner
presentation · 10 years ago
The challenges of loading chemical supplier catalogues
by Bob Marmon (Evotec)
presentation · 10 years ago
Integrating JChem and Marvin with an ELN
by Ian Berry (Evotec)
presentation · 10 years ago
Quicker, better, sketcher
by Ákos Papp (ChemAxon)
tutorial · 11 years ago
MarvinSketch - Basic query
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Mapping a reaction manually
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Multicenters (ferrocene-type structures)
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Flip group
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Flip horizontally, flip vertically (v5.0.3)
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Expand and ungroup abbreviated groups
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Atom drawing and changing
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Coordinate bonds (ferrocene-type structures)
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Defining topologic character and reaction centers
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Formatting bonds
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Insert a double bond label
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Drawing bonds
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Setting preferences
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Setting the format of atoms and molecules
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Customize the keymap
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Customize the toolbar
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Customize the popup window
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Customize the menubar
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Configuration settings
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Open a file
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Save a file
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Import IUPAC names and convert to structure
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Object Linking and Embedding
(ChemAxon)
tutorial · 11 years ago
MarvinSketch - Multipage documents
(ChemAxon)
presentation · 11 years ago
Macromolecular Structure Notation, Editing and Registration
by Tianhong Zhang (Pfizer)
presentation · 11 years ago
An Educational Tool for Learning Substructure Search
by Yingyao Zhou (Genomics Institute of the Novartis Research Foundation)
presentation · 11 years ago
Cheminformatics approaches for metabolomics research
by Tobias Kind (University of California Davis)