List of works - Umesh Kalathiya

Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state

scientific article

Drug repositioning against COVID-19: a first line treatment

scientific article published on 14 September 2021

Extracting functional groups of ALLINI to design derivatives of FDA-approved drugs: Inhibition of HIV-1 integrase.

scientific article

Functional Interfaces, Biological Pathways, and Regulations of Interferon-Related DNA Damage Resistance Signature (IRDS) Genes

scientific article published on 22 April 2021

Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site

scientific article published on 14 May 2020

Hydrogen Deuterium Exchange Mass Spectrometry identifies the dominant paratope in CD20 antigen binding to the NCD1.2 monoclonal antibody

scientific article published on 07 December 2020

Identification of 1H-indene-(1,3,5,6)-tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach

scientific article published on 12 August 2015

Insights into the Effects of Cancer Associated Mutations at the UPF2 and ATP-Binding Sites of NMD Master Regulator: UPF1

scientific article published on 11 November 2019

Molecular Modeling and Evaluation of Novel Dibenzopyrrole Derivatives as Telomerase Inhibitors and Potential Drug for Cancer Therapy.

scientific article

Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds

scientific article

Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides.

scientific article

Nonsense-Mediated mRNA Decay: Pathologies and the Potential for Novel Therapeutics

scientific article published on 24 March 2020

Recognition Dynamics of Cancer Mutations on the ERp57-Tapasin Interface

scientific article published on 20 March 2020

Structural and dynamic changes adopted by EmrE, multidrug transporter protein--Studies by molecular dynamics simulation

scientific article

Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations.

scientific article published on 27 December 2017

Structural determinants of peptide-dependent TAP1-TAP2 transit passage targeted by viral proteins and altered by cancer-associated mutations

scientific article published on 09 September 2021

Structural, functional, and stability change predictions in human telomerase upon specific point mutations

scientific article published on 18 June 2019

Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition

scientific article published on 13 September 2016

The structurally similar TRFH domain of TRF1 and TRF2 dimers shows distinct behaviour towards TIN2.

scientific article published on 8 February 2018

Thermal stress, p53 structures and learning from elephants

scientific article published in 2024

List of works by Umesh Kalathiya

Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state

Drug repositioning against COVID-19: a first line treatment

Extracting functional groups of ALLINI to design derivatives of FDA-approved drugs: Inhibition of HIV-1 integrase.

Functional Interfaces, Biological Pathways, and Regulations of Interferon-Related DNA Damage Resistance Signature (IRDS) Genes

Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site

Hydrogen Deuterium Exchange Mass Spectrometry identifies the dominant paratope in CD20 antigen binding to the NCD1.2 monoclonal antibody

Identification of 1H-indene-(1,3,5,6)-tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach

Insights into the Effects of Cancer Associated Mutations at the UPF2 and ATP-Binding Sites of NMD Master Regulator: UPF1

Molecular Modeling and Evaluation of Novel Dibenzopyrrole Derivatives as Telomerase Inhibitors and Potential Drug for Cancer Therapy.

Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds

Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides.

Nonsense-Mediated mRNA Decay: Pathologies and the Potential for Novel Therapeutics

Recognition Dynamics of Cancer Mutations on the ERp57-Tapasin Interface

Structural and dynamic changes adopted by EmrE, multidrug transporter protein--Studies by molecular dynamics simulation

Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations.

Structural determinants of peptide-dependent TAP1-TAP2 transit passage targeted by viral proteins and altered by cancer-associated mutations

Structural, functional, and stability change predictions in human telomerase upon specific point mutations

Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition

The structurally similar TRFH domain of TRF1 and TRF2 dimers shows distinct behaviour towards TIN2.

Thermal stress, p53 structures and learning from elephants