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List of works by Neha S. Gandhi

3D QSAR studies of N-4-arylacryloylpiperazin-1-yl-phenyl-oxazolidinones: a novel class of antibacterial agents

scientific article published on 02 May 2006

A Phosphorylation-Induced Turn Defines the Alzheimer's Disease AT8 Antibody Epitope on the Tau Protein

scientific article published on 16 April 2015

A comparative structural bioinformatics analysis of the insulin receptor family ectodomain based on phylogenetic information.

scientific article

Adsorption and Unfolding of Lysozyme at a Polarized Aqueous-Organic Liquid Interface

scientific article published on 7 March 2016

Adsorption of Collagen-like Peptides onto Gold Nanosurfaces

scientific article published on 21 March 2019

Analysis of crystallization phenomenon in Indian honey using molecular dynamics simulations and artificial neural network

scientific article published on 15 July 2019

Assessing Molecular Docking Tools to Guide Targeted Drug Discovery of CD38 Inhibitors

scientific article published on 22 July 2020

Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps).

scientific article

Barrier-to-autointegration factor 1 (Banf1) regulates poly [ADP-ribose] polymerase 1 (PARP1) activity following oxidative DNA damage

scientific article published on 03 December 2019

Calculations of the free energy of interaction of the c-Fos-c-Jun coiled coil: effects of the solvation model and the inclusion of polarization effects

scientific article published on 23 November 2010

Can current force fields reproduce ring puckering in 2-O-sulfo-alpha-L-iduronic acid? A molecular dynamics simulation study

scientific article

Computational analyses of the catalytic and heparin-binding sites and their interactions with glycosaminoglycans in glycoside hydrolase family 79 endo-β-D-glucuronidase (heparanase).

scientific article

Computational insights into the active structure of SGK1 and its implication for ligand design

scientific article published on 11 July 2019

Cross-Species Analysis of Glycosaminoglycan Binding Proteins Reveals Some Animal Models Are "More Equal" than Others

scientific article published on 06 March 2019

Cyclophilin A allows the allosteric regulation of a structural motif in the disordered domain 2 of NS5A and thereby fine-tunes HCV RNA replication

scientific article published on 17 July 2019

Design and synthesis of novel 3-hydroxy-cyclobut-3-ene-1,2-dione derivatives as thyroid hormone receptor beta (TR-beta) selective ligands.

scientific article published on 14 June 2008

Development and application of site mapping methods for the design of glycosaminoglycans

scientific article published on 23 May 2014

Dual targeting of dengue virus virions and NS1 protein with the heparan sulfate mimic PG545

scientific article published on 11 May 2019

Elevating CDCA3 levels in non-small cell lung cancer enhances sensitivity to platinum-based chemotherapy

scientific article published on 28 May 2021

Facile synthesis, ex-vivo and in vitro screening of 3-sulfonamide derivative of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (SR141716) a potent CB1 receptor antagonist.

scientific article published on 18 June 2008

Free energy calculations of glycosaminoglycan-protein interactions

scientific article published on 30 July 2009

Free energy calculations of the interactions of c-Jun-based synthetic peptides with the c-Fos protein.

scientific article

GlycoTorch Vina: Docking Designed and Tested for Glycosaminoglycans

scientific article published on 05 November 2020

Heparanase: A Challenging Cancer Drug Target

scientific article published on 28 November 2019

Heparin Inhibits Cellular Invasion by SARS-CoV-2: Structural Dependence of the Interaction of the Spike S1 Receptor-Binding Domain with Heparin

scientific article published on 23 December 2020

Heparin/heparan sulphate-based drugs ⬇️

scientific article published on October 23, 2010

Heterogeneous nanomechanical properties of type I collagen in longitudinal direction.

scientific article published on 7 January 2017

Interaction of gold nanosurfaces/nanoparticles with collagen-like peptides

scientific article published on 01 February 2019

Molecular Dynamics Simulation of Tau Peptides for the Investigation of Conformational Changes Induced by Specific Phosphorylation Patterns.

scientific article published on January 2017

Molecular Dynamics Simulations of CXCL-8 and Its Interactions with a Receptor Peptide, Heparin Fragments, and Sulfated Linked Cyclitols ⬇️

scientific article published on 07 February 2011

Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment

scientific article published on 24 March 2014

Molecular insights on the interference of simplified lung surfactant models by gold nanoparticle pollutants

scientific article published on 10 June 2019

Molecular modeling of Bt Cry1Ac (DI–DII)–ASAL (Allium sativum lectin)–fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sexta ⬇️

scientific article published on November 23, 2011

NMR Meets Tau: Insights into Its Function and Pathology

scientific article

Novel analogs of sulfasalazine as system xc - antiporter inhibitors: Insights from the molecular modeling studies

scientific article published on 14 June 2019

Prediction of heparin binding sites in bone morphogenetic proteins (BMPs) ⬇️

scientific article published on July 21, 2012

Steered molecular dynamics characterization of the elastic modulus and deformation mechanisms of single natural tropocollagen molecules

scientific article published on 05 July 2018

Synthetic Heparan Sulfate Mimetic Pixatimod (PG545) Potently Inhibits SARS-CoV-2 By Disrupting The Spike-ACE2 interaction

scientific article

The role of SP-B1-25 peptides in lung surfactant monolayers exposed to gold nanoparticles

scientific article published on 01 July 2020

The structure of glycosaminoglycans and their interactions with proteins.

scientific article published on December 2008

Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi.

scientific article published on 23 August 2017

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