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List of works by Gaurav Chopra

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines toward Fast Multicomponent Reactions

scientific article published on 19 October 2020

Aminoisoquinoline benzamides, FLT3 and Src-family kinase inhibitors, potently inhibit proliferation of acute myeloid leukemia cell lines.

scientific article published on 11 May 2017

An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12.

scientific article

CANDO and the infinite drug discovery frontier

scientific article (publication date: September 2014)

CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

scientific article published on 03 March 2020

Combating Ebola with Repurposed Therapeutics Using the CANDO Platform

scientific article published on 25 November 2016

Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indications

scientific article published on 11 September 2019

Consistent refinement of submitted models at CASP using a knowledge-based potential

scientific article

Correction: Distal Effect of Amino Acid Substitutions in CYP2C9 Polymorphic Variants Causes Differences in Interatomic Interactions against (S)-Warfarin.

scientific article published on 11 September 2013

Distal effect of amino acid substitutions in CYP2C9 polymorphic variants causes differences in interatomic interactions against (S)-warfarin

scientific article (publication date: 2013)

Divergent Phenotypes of Human Regulatory T Cells Expressing the Receptors TIGIT and CD226.

scientific article published on 20 May 2015

Exploring Polypharmacology in Drug Discovery and Repurposing Using the CANDO Platform.

scientific article

Identification of New FLT3 Inhibitors That Potently Inhibit AML Cell Lines via an Azo Click-It/Staple-It Approach.

scientific article published on 14 April 2017

Inhibition of 12/15-Lipoxygenase Protects Against β Cell Oxidative Stress and Glycemic Deterioration in Mouse Models of Type 1 Diabetes.

scientific article published on 25 August 2017

Integrated Pan-Cancer Map of EBV-Associated Neoplasms Reveals Functional Host-Virus Interactions

scientific article published on 03 September 2019

KoBaMIN: a knowledge-based minimization web server for protein structure refinement

scientific article

Lemon: a framework for rapidly mining structural information from the Protein Data Bank

scientific article published on 01 October 2019

Multiscale modelling of relationships between protein classes and drug behavior across all diseases using the CANDO platform.

scientific article

Oxido-reductive regulation of vascular remodeling by receptor tyrosine kinase ROS1.

scientific article

Remarkable patterns of surface water ordering around polarized buckminsterfullerene

scientific article

Solvent dramatically affects protein structure refinement.

scientific article

Strategic protein target analysis for developing drugs to stop dental caries

scientific article

Targeting polyamine biosynthesis to stimulate beta cell regeneration in zebrafish

scientific article published on 25 July 2020

The chromatin-modifying enzyme Ezh2 is critical for the maintenance of regulatory T cell identity after activation.

scientific article

WeFold: a coopetition for protein structure prediction

scientific article

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