Gaurav Goel

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 10

Top Topics

Molecularly Imprinted

Structural Basis

Crystal Structure

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Akshay Chenna, Wajihul Hasan Khan, Rozaleen Dash, Saurabh Saraswat, Archana Chugh, Anurag Singh Rathore, Gaurav Goel
An efficient computational protocol for template-based design of peptides that inhibit interactions involving SARS-CoV-2 proteins. Proteins (2023)
Hanuman Singh, Akshay Chenna, Upanshu Gangwar, Souvik Dutta, Narayanan D Kurur, Gaurav Goel, V Haridas
Bispidine as a promising scaffold for designing molecular machines. Organic & biomolecular chemistry (2023)
Rajat Punia, Gaurav Goel
Free Energy Surface and Molecular Mechanism of Slow Structural Transitions in Lipid Bilayers. Journal of chemical theory and computation (2023)
Rajat Punia, Gaurav Goel
Computation of the Protein Conformational Transition Pathway on Ligand Binding by Linear Response-Driven Molecular Dynamics. Journal of chemical theory and computation 18 (5) (2022)
Rit Pratik Mishra, Surbhi Gupta, Anurag Singh Rathore, Gaurav Goel
Multi-Level High-Throughput Screening for Discovery of Ligands That Inhibit Insulin Aggregation. Molecular pharmaceutics 19 (11) (2022)
Rit Pratik Mishra, Gaurav Goel
Multiscale Model for Quantitative Prediction of Insulin Aggregation Nucleation Kinetics. Journal of chemical theory and computation (2021)
Hanuman Singh, Akshay Chenna, Upanshu Gangwar, Julie Borah, Gaurav Goel, V Haridas
Bispidine as a β-strand nucleator: from a β-arch to self-assembled cages and vesicles. Chemical science 12 (47) (2021)
Avinash Mishra, Rohit Bansal, Shravan Sreenivasan, Rozaleen Dash, Srishti Joshi, Richa Singh, Anurag Singh Rathore, Gaurav Goel
Structure-Based Design of Small Peptide Ligands to Inhibit Early-Stage Protein Aggregation Nucleation. Journal of chemical information and modeling 60 (6) (2020)
Aditya Vikram Khandelwal, Akash Singh, Namrata Pal, Rajdeep Kumar, Gaurav Goel, Shalini Gupta
AC Conductivity Measurements of Ultradilute Colloidal Suspensions in HEPES Buffer. Langmuir : the ACS journal of surfaces and colloids 35 (45) (2019)
Parvez Khan, Gaurav Goel
Martini Coarse-Grained Model for Clay-Polymer Nanocomposites. The journal of physical chemistry. B 123 (42) (2019)