List of works - Mohamed Diwan M AbdulHameed

3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening

scientific article published on July 2013

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space

scientific article published on 8 February 2012

Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations.

scientific article published on 3 March 2014

Characterization of chemically induced liver injuries using gene co-expression modules

scientific article

Exploring polypharmacology using a ROCS-based target fishing approach

scientific article published on 23 January 2012

Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation.

scientific article published on 4 December 2007

Microscopic modes and free energies of 3-phosphoinositide-dependent kinase-1 (PDK1) binding with celecoxib and other inhibitors.

scientific article published on December 2006

Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches

scientific article

Molecular basis of the selectivity of the immunoproteasome catalytic subunit LMP2-specific inhibitor revealed by molecular modeling and dynamics simulations.

scientific article published on September 2010

New inhibitor of 3-phosphoinositide dependent protein kinase-1 identified from virtual screening.

scientific article

QSAR classification model for antibacterial compounds and its use in virtual screening

scientific article

Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction

scientific article published in 2013

Synthesis and evaluation of Strychnos alkaloids as MDR reversal agents for cancer cell eradication

scientific article published on 21 December 2013

Systems biology approaches for discovering biomarkers for traumatic brain injury

scientific article

Systems level analysis and identification of pathways and networks associated with liver fibrosis

scientific article

Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesis

scientific article

Understanding microscopic binding of human microsomal prostaglandin E synthase-1 with substrates and inhibitors by molecular modeling and dynamics simulation.

scientific article published on 14 May 2008

List of works by Mohamed Diwan M AbdulHameed

3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space

Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations.

Characterization of chemically induced liver injuries using gene co-expression modules

Exploring polypharmacology using a ROCS-based target fishing approach

Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation.

Microscopic modes and free energies of 3-phosphoinositide-dependent kinase-1 (PDK1) binding with celecoxib and other inhibitors.

Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches

Molecular basis of the selectivity of the immunoproteasome catalytic subunit LMP2-specific inhibitor revealed by molecular modeling and dynamics simulations.

New inhibitor of 3-phosphoinositide dependent protein kinase-1 identified from virtual screening.

QSAR classification model for antibacterial compounds and its use in virtual screening

Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction

Synthesis and evaluation of Strychnos alkaloids as MDR reversal agents for cancer cell eradication

Systems biology approaches for discovering biomarkers for traumatic brain injury

Systems level analysis and identification of pathways and networks associated with liver fibrosis

Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesis

Understanding microscopic binding of human microsomal prostaglandin E synthase-1 with substrates and inhibitors by molecular modeling and dynamics simulation.