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List of works by Navjeet Ahalawat

Activation of corticotropin-releasing factor 1 receptor: insights from molecular dynamics simulations.

scientific article published on 30 January 2015

An Appraisal of Computer Simulation Approaches in Elucidating Biomolecular Recognition Pathways

scientific article published on 31 December 2020

An ebselen like catalyst with enhanced GPx activity via a selenol intermediate

scientific article published on 01 February 2014

Assessment and optimization of collective variables for protein conformational landscape: GB1 β-hairpin as a case study

scientific article published on 01 September 2018

Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme.

scientific article published on 18 May 2018

Atomistic Insights into Structural Differences between E3 and E4 Isoforms of Apolipoprotein E.

scientific article published in December 2017

Conformational changes and allosteric communications in human serum albumin due to ligand binding

scientific article published on 12 January 2015

Mapping the Substrate Recognition Pathway in Cytochrome P450

scientific article published on 10 December 2018

Molecular Mechanism of Nucleotide-Dependent Allosteric Regulation in AMP-Activated Protein Kinase

scientific article published on 27 March 2017

Molecular dynamics simulation studies of betulinic acid with human serum albumin

scientific article published on 11 November 2011

Nonaffine Displacements Encode Collective Conformational Fluctuations in Proteins

scientific article published on 03 April 2020

On identifying collective displacements in apo-proteins that reveal eventual binding pathways

scientific article published on 15 January 2019

On the role of solvent in hydrophobic cavity-ligand recognition kinetics

scientific article published on 01 February 2020

Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation

scientific article published on 03 April 2020

Structural Ensemble of CD4 Cytoplasmic Tail (402-419) Reveals a Nearly Flat Free-Energy Landscape with Local α-Helical Order in Aqueous Solution.

scientific article

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