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Gaurav Goel

13PUBLICATIONS

12CO-AUTHORS

Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Structure and dynamics of materialsPolymers and plasticsTransport properties and non-equilibrium processesBiomolecular modelling and design

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Publications (13)

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|Oct 10, 2025

Structural, Thermodynamic, and Dynamic Descriptors for the Differential Mechanism of HIF-2 Activity Modulators.

Rajat Punia, Gaurav Goel

|Aug 12, 2025

Characterization of Morphology Evolution in a Polymer-Clay Nanocomposite Using Multiscale Simulations.

Parvez Khan, Ankit Patidar, Gaurav Goel

|Nov 11, 2024

MARTINI Coarse-Grained Force Field for Thermoplastic Starch Nanocomposites.

Ankit Patidar, Gaurav Goel

|Nov 10, 2023

Free Energy Surface and Molecular Mechanism of Slow Structural Transitions in Lipid Bilayers.

Rajat Punia, Gaurav Goel

|Nov 08, 2023

Bispidine as a promising scaffold for designing molecular machines.

Hanuman Singh, Akshay Chenna, Upanshu Gangwar

|Jun 07, 2023

An efficient computational protocol for template-based design of peptides that inhibit interactions involving SARS-CoV-2 proteins.

Akshay Chenna, Wajihul Hasan Khan, Rozaleen Dash

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Frequent Collaborators

3 joint publications

Anurag Singh Rathore

3 joint publications

Akshay Chenna

3 joint publications

Rajat Punia

2 joint publications

Rit Pratik Mishra

2 joint publications

Hanuman Singh

2 joint publications

V Haridas

2 joint publications

Ankit Patidar

1 joint publications

Shalini Gupta

1 joint publications

Avinash Mishra

1 joint publications

Wajihul Hasan Khan

Frequent Collaborators

3 joint publications

Anurag Singh Rathore

3 joint publications

Akshay Chenna

3 joint publications

Rajat Punia

2 joint publications

Rit Pratik Mishra

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