Karim M. Elsawy

York, ENG YO105GE, United Kingdom

Last Updated: 09/26/2026

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Found 13 publications

Utility of Brownian dynamics simulations in chemistry and biology: A comprehensive review.

Utility of Brownian dynamics simulations in chemistry and biology: A comprehensive review.

Journal: Biochimica et biophysica acta. General subjects

Published: September 04, 2024

Competitive Interaction of the SGFRKMAF Peptide with 3CLpro Dimerization Intermediates: A Brownian Dynamics Investigation.

Competitive Interaction of the SGFRKMAF Peptide with 3CLpro Dimerization Intermediates: A Brownian Dynamics Investigation.

Journal: The journal of physical chemistry. B

Published: July 19, 2024

Disruption of 3CLpro protease self-association by short peptides as a potential route to broad spectrum coronavirus inhibitors.

Disruption of 3CLpro protease self-association by short peptides as a potential route to broad spectrum coronavirus inhibitors.

Journal: Journal of biomolecular structure & dynamics

Published: November 01, 2021

Potential Breast Anticancer Drug Targets Revealed by Differential Gene Regulatory Network Analysis and Molecular Docking: Neoadjuvant Docetaxel Drug as a Case Study.

Potential Breast Anticancer Drug Targets Revealed by Differential Gene Regulatory Network Analysis and Molecular Docking: Neoadjuvant Docetaxel Drug as a Case Study.

Journal: Cancer informatics

Published: October 24, 2017

The impact of viral RNA on the association free energies of capsid protein assembly: bacteriophage MS2 as a case study.

The impact of viral RNA on the association free energies of capsid protein assembly: bacteriophage MS2 as a case study.

Journal: Journal of molecular modeling

Published: October 15, 2016

Reactivation of mutant p53: Constraints on mechanism highlighted by principal component analysis of the DNA binding domain.

Reactivation of mutant p53: Constraints on mechanism highlighted by principal component analysis of the DNA binding domain.

Journal: Proteins

Published: March 04, 2016

Recognition Dynamics of p53 and MDM2: Implications for Peptide Design.

Recognition Dynamics of p53 and MDM2: Implications for Peptide Design.

Journal: The journal of physical chemistry. B

Published: December 25, 2015

A spatiotemporal characterization of the effect of p53 phosphorylation on its interaction with MDM2.

A spatiotemporal characterization of the effect of p53 phosphorylation on its interaction with MDM2.

Journal: Cell cycle (Georgetown, Tex.)

Published: January 14, 2015

On the origin of the stereoselective affinity of Nutlin-3 geometrical isomers for the MDM2 protein.

On the origin of the stereoselective affinity of Nutlin-3 geometrical isomers for the MDM2 protein.

Journal: Cell cycle (Georgetown, Tex.)

Published: November 26, 2013

On the interaction mechanisms of a p53 peptide and nutlin with the MDM2 and MDMX proteins: a Brownian dynamics study.

On the interaction mechanisms of a p53 peptide and nutlin with the MDM2 and MDMX proteins: a Brownian dynamics study.

Journal: Cell cycle (Georgetown, Tex.)

Published: January 18, 2013

Peptide inhibitors of viral assembly: a novel route to broad-spectrum antivirals.

Peptide inhibitors of viral assembly: a novel route to broad-spectrum antivirals.

Journal: Journal of chemical information and modeling

Published: March 07, 2012

Characterization of the Ligand Receptor Encounter Complex and Its Potential for in Silico Kinetics-Based Drug Development.

Characterization of the Ligand Receptor Encounter Complex and Its Potential for in Silico Kinetics-Based Drug Development.

Journal: Journal of chemical theory and computation

Published: January 10, 2012

Showing 1-12 of 13

Last Updated: 09/26/2026