Meine Merkliste
my.chemie.de  
Login  

2.360 Aktuelle Fachpublikationen zum Thema Software

rss

Synthesis, physicochemical and kinetic studies of redox derivative of bis(2-chloroethylamine) as alkylating cytotoxic agent for brain delivery

24.05.2015 | Author(s): Rajesh K. Singh , D.N. Prasad , T.R. Bhardwaj, Arabian Journal of Chemistry, 2015

Publication date: May 2015 Source:Arabian Journal of Chemistry, Volume 8, Issue 3 Author(s): Rajesh K. Singh , D.N. Prasad , T.R. Bhardwaj Nitrogen mustard (mustine) containing an established anticancer moiety (N,N-bis(2-chloroethyl)amino is the one of the most active and widely used ...

mehr

Synthesis, physicochemical and biological evaluation of 2-amino-5-chlorobenzophenone derivatives as potent skeletal muscle relaxants

24.05.2015 | Author(s): Rajesh K. Singh , Sonia Devi , D.N. Prasad, Arabian Journal of Chemistry, 2015

Publication date: May 2015 Source:Arabian Journal of Chemistry, Volume 8, Issue 3 Author(s): Rajesh K. Singh , Sonia Devi , D.N. Prasad A series of novel 2-amino-5-chlorobenzophenone derivatives (3a–3g) were prepared by the reaction of 2-(chloroacetamido)-5-chlorobenzophenone and ...

mehr

Crystal structures of increasingly large molecules: meeting the challenges with CRYSTALS software

24.05.2015 | Parois, Pascal; Cooper, Richard I; Thompson, Amber L, Chemistry Central Journal , 2015

Background: The size and complexity of molecules being studied by single crystal diffraction is growing year by year, resulting in an increase in the difficulties encountered during structure determination. From the crystallisation itself and sample handling, to structure solution and refinement, ...

mehr

Diverse models for anti-HIV activity of purine nucleoside analogs

23.05.2015 | Khatri, Naveen; Lather, Viney; Madan, A K, Chemistry Central Journal , 2015

Background: Purine nucleoside analogs (PNAs) constitute an important group of cytotoxic drugs for the treatment of neoplastic and autoimmune diseases. In the present study, classification models have been developed for the prediction of the anti-HIV activity of purine nucleoside ...

mehr

Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 – a free in‐house NMR database with integrated LIMS for academic service laboratories

22.05.2015 | Stefan Kuhn, Nils E. Schlörer, Magnetic Resonance in Chemistry, 2015

Abstract nmrshiftdb2 supports with its laboratory information management system the integration of an electronic lab administration and management into academic NMR facilities. Also, it offers the setup of a local database, while full access to nmrshiftdb2's World Wide Web database is granted. ...

mehr

Integration of Ligand Field Molecular Mechanics in Tinker

22.05.2015 | Marco Foscato; Robert J. Deeth; Vidar R. Jensen, Journal of Chemical Information and Modeling, 2015

The ligand field molecular mechanics (LFMM) method for transition-metal complexes has been integrated in Tinker, an easily available and popular molecular modeling software package. The capability to calculate LFMM potentials has been provided by extending the functional forms of the Tinker ...

mehr

Studies on mechanical behavior high impact polystyrene/vinyl clay nanocomposites: Comparison between in situ polymerization and melt mixing

21.05.2015 | Praseetha P. Nair, George K.E., Jayakrishnan N., Polymer Composites, 2015

A comparative study on various synthesis methods like melt mixing (MM) and in situ polymerization (ISP) of high impact polystyrene/vinyl clay nanocomposites (HIPS/VNCs) is attempted here. In ISP, nanocomposites were prepared by mixing vinyl clay (VC) and poly butadiene rubber (PBR) in styrene ...

mehr

MOLSIM: A modular molecular simulation software

21.05.2015 | Jurij Reščič, Per Linse, Journal of Computational Chemistry, 2015

The modular software MOLSIM for all‐atom molecular and coarse‐grained simulations is presented with focus on the underlying concepts used. The software possesses four unique features: (1) it is an integrated software for molecular dynamic, Monte Carlo, and Brownian dynamics simulations; (2) ...

mehr

Conformational ensembles and sampled energy landscapes: Analysis and comparison

21.05.2015 | Frédéric Cazals, Tom Dreyfus, Dorian Mazauric, Christine‐Andrea Roth, Charles H. Robert, Journal of Computational Chemistry, 2015

We present novel algorithms and software addressing four core problems in computational structural biology, namely analyzing a conformational ensemble, comparing two conformational ensembles, analyzing a sampled energy landscape, and comparing two sampled energy landscapes. Using recent ...

mehr

No more hidden solutions in bioinformatics

21.05.2015 | Vihinen, Mauno;, Nature, 2015

No more hidden solutions in bioinformatics Nature 521, 7552 (2015). http://www.nature.com/doifinder/10.1038/521261a Author: Mauno Vihinen Precision medicine cannot advance without full disclosure of how commercial genome sequencing ...

mehr

Seite 1 von 236
Suche per e-Mail abonnieren

Sie erhalten passend zu Ihrer Suche die neusten Suchergebnisse per E-Mail. Dieser Service ist für Sie kostenlos und kann jederzeit abbestellt werden.

Ihr Bowser ist nicht aktuell. Microsoft Internet Explorer 6.0 unterstützt einige Funktionen auf Chemie.DE nicht.