GG
Gaurav Goel
cond-mat.softcond-mat.stat-mechMolecular Dynamics SimulationbioinformaticsFood PackagingHydrophobic and Hydrophilic InteractionsInsulinPaperAdsorptionaggregation inhibition
On Valency
published · living versionsW_2m65axnx·v1 · currentpublished
Effect of Size Asymmetry and Zwitterionic Character of Solvent Ions on Impedance Spectra of Ultradilute Colloidal Suspensions
with Meenakshi, Shalini Gupta
1 version
Preprints & journals
32 papers in the corpus · 2007–2026Characterization and Quantification of Immiscible Polymer Blend Compatibilization by Phyllosilicate Clays2610.01576v1 · Ankit Patidar, Gaurav Goel2026 · 0 citationsarXiv
Structural, Thermodynamic, and Dynamic Descriptors for the Differential Mechanism of HIF-2 Activity Modulators.41069180 · Punia, Rajat, Goel, Gaurav2025 · 0 citationsJournal of chemical information and modeling. 2025;65(20):11285-11296
Characterization of Morphology Evolution in a Polymer-Clay Nanocomposite Using Multiscale Simulations.40791126 · Khan, Parvez, Patidar, Ankit, Goel, Gaurav2025 · 1 citationJournal of chemical theory and computation. 2025;21(16):8151-8167
Paper-Based Biopolymer Seafood Packaging with Integrated Colorimetric Ammonia Detection for Intelligent Barrier Technologies.40757477 · Poddar, Deepak, Goel, Gaurav, Pattanayek, Sudip Kumar2025 · 11 citationsLangmuir : the ACS journal of surfaces and colloids. 2025;41(32):21276-21288
Characterization and Quantification of Immiscible Polymer Blend Compatibilization by Phyllosilicate Clays2507.06159v3 · Ankit Patidar, Gaurav Goel2025 · 0 citationsarXiv
Protein Language Model Based Structure-guided Antibody Screening for Disordered Protein Targets10.1101/2025.06.21.660895v1 · Chenna, A., Priyadarshi, P., Kolluru, K. et al.2025 · 0 citationsbioRxiv
Structure-property relationships in shellac-coated paper: impact of coating parameters on high-barrier bio-based packaging applications.40250643 · Poddar, Deepak, Srivastava, Rajiv K, Pattanayek, Sudip Kumar et al.2025 · 14 citationsInternational journal of biological macromolecules. 2025;310(Pt 2):143172
Elastoviscoplastic Model of Shellac-Butanol Solutions and its Application in Coated Paper Barrier Property Analysis10.26434/chemrxiv-2025-sfckm · Ashish Garg, Deepak Poddar, Faiz Ahmad et al.2025 · 2 citationsChemRxiv
MARTINI Coarse-Grained Force Field for Thermoplastic Starch Nanocomposites.39527046 · Patidar, Ankit, Goel, Gaurav2024 · 3 citationsThe journal of physical chemistry. B. 2024;128(46):11468-11480
Free Energy Surface and Molecular Mechanism of Slow Structural Transitions in Lipid Bilayers.37947833 · Punia, Rajat, Goel, Gaurav2023 · 5 citationsJournal of chemical theory and computation. 2023;19(22):8245-8257
Free energy surface and molecular characterization of slow structural transitions in lipid bilayers10.1101/2023.06.30.547217v1 · Punia, R., Goel, G.2023 · 1 citationbioRxiv
An efficient computational protocol for template-based design of peptides that inhibit interactions involving SARS-CoV-2 proteins.37283297 · Chenna, Akshay, Khan, Wajihul Hasan, Dash, Rozaleen et al.2023 · 6 citationsProteins. 2023;91(9):1222-1234
Multi-Level High-Throughput Screening for Discovery of Ligands That Inhibit Insulin Aggregation.36173709 · Mishra, Rit Pratik, Gupta, Surbhi, Rathore, Anurag Singh et al.2022 · 5 citationsMolecular pharmaceutics. 2022;19(11):3770-3783
Computation of the Protein Conformational Transition Pathway on Ligand Binding by Linear Response-Driven Molecular Dynamics.35484642 · Punia, Rajat, Goel, Gaurav2022 · 9 citationsJournal of chemical theory and computation. 2022;18(5):3268-3283
Template-based design of peptides to inhibit SARS-CoV-2 RNA-dependent RNA polymerase complexation.10.1101/2022.01.24.477502v1 · Chenna, A., Khan, W. H., Dash, R. et al.2022 · 3 citationsbioRxiv
Multiscale Model for Quantitative Prediction of Insulin Aggregation Nucleation Kinetics.34813303 · Mishra, Rit Pratik, Goel, Gaurav2022 · 5 citationsJournal of chemical theory and computation. 2021;17(12):7886-7898
Bispidine as a β-strand nucleator: from a β-arch to self-assembled cages and vesicles.35003608 · Singh, Hanuman, Chenna, Akshay, Gangwar, Upanshu et al.2022 · 9 citationsChemical science. 2021;12(47):15757-15764
Zwitterions for impedance spectroscopy: The new buffers in town.34022999 · Anand, Satyam, Swami, Pragya, Goel, Gaurav et al.2021 · 8 citationsAnalytica chimica acta. 2021;1166:338547
An integrated permeable reactive barrier and photobioreactor approach for simultaneous removal of nitrate, phosphate and hexavalent chromium: A combined batch and continuous flow study.33932809 · Mittal, Akshit, Singh, Rahul, Chakma, Sumedha et al.2021 · 17 citationsBioresource technology. 2021;333:125201
Modulation of granulocyte colony stimulating factor conformation and receptor binding by methionine oxidation.32860270 · Singh, Sumit Kumar, Mishra, Avinash, Goel, Gaurav et al.2024 · 3 citationsProteins. 2020
Structure-Based Design of Small Peptide Ligands to Inhibit Early-Stage Protein Aggregation Nucleation.32323986 · Mishra, Avinash, Bansal, Rohit, Sreenivasan, Shravan et al.2021 · 16 citationsJournal of chemical information and modeling. 2020;60(6):3304-3314
AC Conductivity Measurements of Ultradilute Colloidal Suspensions in HEPES Buffer.31626736 · Khandelwal, Aditya Vikram, Singh, Akash, Pal, Namrata et al.2020 · 4 citationsLangmuir : the ACS journal of surfaces and colloids. 2019;35(45):14725-14733
Martini Coarse-Grained Model for Clay-Polymer Nanocomposites.31573809 · Khan, Parvez, Goel, Gaurav2020 · 23 citationsThe journal of physical chemistry. B. 2019;123(42):9011-9023
Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics.28445749 · Singh, Richa, Bansal, Rohit, Rathore, Anurag Singh et al.2017 · 22 citationsBiophysical journal. 2017;112(8):1571-1585
Synthetic minimalistic tryptophan zippers as a chiroptical switch.28128389 · Haridas, V, Sadanandan, Sandhya, Dhawan, Sameer et al.2018 · 16 citationsOrganic & biomolecular chemistry. 2017;15(7):1661-1669
Isotope fractionation by thermal diffusion in silicate melts.22401089 · Lacks, Daniel J, Goel, Gaurav, Bopp, Charles J et al.2012 · 64 citationsPhysical review letters. 2012;108(6):065901
Transport coefficients in silicate melts from structural data via a structure-thermodynamics-dynamics relationship.22181421 · Goel, Gaurav, Lacks, Daniel J, Van Orman, James A2012 · 11 citationsPhysical review. E, Statistical, nonlinear, and soft matter physics. 2011;84(5 Pt 1):051506
Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure1110.2510v2 · James Carmer, Gaurav Goel, Mark J. Pond et al.2011 · 15 citationsarXiv
Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: mixtures and soft particles.20365159 · Krekelberg, William P, Pond, Mark J, Goel, Gaurav et al.2010 · 96 citationsPhysical review. E, Statistical, nonlinear, and soft matter physics. 2009;80(6 Pt 1):061205
Attractions, water structure, and thermodynamics of hydrophobic polymer collapse.18821793 · Goel, Gaurav, Athawale, Manoj V, Garde, Shekhar et al.2008 · 23 citationsThe journal of physical chemistry. B. 2008;112(42):13193-6
Tuning density profiles and mobility of inhomogeneous fluids.18352209 · Goel, Gaurav, Krekelberg, William P, Errington, Jeffrey R et al.2008 · 66 citationsPhysical review letters. 2008;100(10):106001
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water.17215352 · Athawale, Manoj V, Goel, Gaurav, Ghosh, Tuhin et al.2007 · 119 citationsProceedings of the National Academy of Sciences of the United States of America. 2007;104(3):733-8
Career total: 51 works. 32 are in this corpus.
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