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Discovery Studio

Discovery Studio is a suite of software for simulating small molecule and macromolecule systems. It is developed and distributed by Accelrys. The… 
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CHARMMCambridge Structural DatabaseChemical file formatCombinatorial chemistry

Papers overview

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Review
2019
Review
2019
A Preview of a Construction of a Crystal Lattice Based on Intermolecular Interactions
A general procedure of crystal packing reconstruction using a certain number of intermolecular interactions is introduced and… 
2017
2017
Identification of Quercetin as a Potential Band 3 Protein Antioxidant Using Ektacytometry and in Silico Molecular Docking Technology
The purpose of this study was to analyze the protective action of natural flavonoid to the reactive oxygen stress on the Band 3… 
2017
2017
Microwave synthesis, biological evaluation and docking studies of 2-substituted methyl 1-(4-fluorophenyl)-1H-benzimidazole-5-carboxylates
A library of 22 novel 2-substituted fluorinated benzimidazoles (5a-v) was synthesized under microwave conditions in yields of… 
2016
2016
IN SILICO PREDICTION OF ΔΔG AS A GUIDE TO IMPROVING STABILITY AND AVIDITY OF ANTIBODIES
  • 2016
  • Corpus ID: 12261046
INTRODUCTION Antibodies now have a critical role in both therapeutics and diagnostics areas of medicine and research. The market… 
2014
2014
OPEN SOURCE DRUG DISCOVERY FOR CHIKUNGUNYA
used in the study which is monomer with molecular weight 50KDa which is anchored in the membrane of CHIKV. The structure of E1… 
2013
2013
Identification of novel inhibitors of HIV-1 integrase using pharmacophore-based virtual screening combined with molecular docking strategies
Human immunodeficiency virus type-1 (HIV-1) integrase is one of three enzymes encoded by the HIV genome for effective viral… 
2012
2012
Diphenylmaleimide derivatives and their efficiency in off-on Hg 2+ fluorometric sensing
Two novel fluoroionophores (Sensors 1 and 2) possessing one and two units of diphenylmaleimide fluorophore covalently bound to 2… 
2011
2011
Prediction of a neutralizing epitope of a H5N1 virus hemagglutinin complexed with an antibody variable fragment using molecular dynamics simulation
In this present study, we predicted the neutralizing epitope of a modeled H5N1 hemagglutinin 1046T when interacted with a modeled… 
2011
2011
Predication the Suppressing Human Oral Cancer Cell Line by Curcumin through the Research of Fas Receptor
Abstract —Curcumin is commonly applied as food coloring and seasoning but recent research show that curcumin is able to enhance… 
2009
2009
Studies of the Activation Steps Concurrent to Ligand Binding in δOR and κOR Opioid Receptors Based on Molecular Dynamics Simulations
Although agonists and antagonists occupy the same space in opioid receptors the agonists only are able to evoke their activation… 
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