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)

|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