Publications

• Barbhuiya, T. K., Beard, S., Shah, E. T., Mason, S., Bolderson, E., O'Byrne, K., Guddat, L. W., Richard, D. J., Adams, M. N., & Gandhi, N. S. (2024, Feb 20). Targeting the hSSB1-INTS3 Interface: A Computational Screening Driven Approach to Identify Potential Modulators. ACS Omega, 9(7), 8362-8373. https://doi.org/10.1021/acsomega.3c09267

• Kozma, M. T., Pérez-Moreno, J. L., Gandhi, N. S., Hernandez Jeppesen, L., Durica, D. S., Ventura, T., & Mykles, D. L. (2023). In silico analysis of crustacean hyperglycemic hormone family G protein-coupled receptor candidates. Front Endocrinol (Lausanne), 14, 1322800. https://doi.org/10.3389/fendo.2023.1322800

• Mycroft-West, C. J., Abdelkarim, S., Duyvesteyn, H. M. E., Gandhi, N. S., Skidmore, M. A., Owens, R. J., & Wu, L. (2024, Feb 13). Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1. Nat Commun, 15(1), 1326. https://doi.org/10.1038/s41467-024-45419-4

• Malik, A., Jayarathna, D. K., Fisher, M., Barbhuiya, T. K., Gandhi, N. S., & Batra, J. (2024, Feb). Dynamics and recognition of homeodomain containing protein-DNA complex of IRX4. Proteins, 92(2), 282-301. https://doi.org/10.1002/prot.26604

• Barbhuiya, T. K., Fisher, M., Boittier, E. D., Bolderson, E., O'Byrne, K. J., Richard, D. J., Adams, M. N., & Gandhi, N. S. (2023, Mar). Structural investigation of CDCA3-Cdh1 protein-protein interactions using in vitro studies and molecular dynamics simulation. Protein Sci, 32(3), e4572. https://doi.org/10.1002/pro.4572

• Buckley, M. E., Ndukwe, A. R. N., Nair, P. C., Rana, S., Fairfull-Smith, K. E., & Gandhi, N. S. (2023, Feb 24). Comparative Assessment of Docking Programs for Docking and Virtual Screening of Ribosomal Oxazolidinone Antibacterial Agents. Antibiotics (Basel), 12(3). https://doi.org/10.3390/antibiotics12030463

• Jayarathna, D. K., Rentería, M. E., Batra, J., & Gandhi, N. S. (2023, Feb 10). Integrative competing endogenous RNA network analyses identify novel lncRNA and genes implicated in metastatic breast cancer. Sci Rep, 13(1), 2423. https://doi.org/10.1038/s41598-023-29585-x

• Jayarathna, D. K., Rentería, M. E., Batra, J., & Gandhi, N. S. (2023, Feb 10). Integrative competing endogenous RNA network analyses identify novel lncRNA and genes implicated in metastatic breast cancer. Sci Rep, 13(1), 2423. https://doi.org/10.1038/s41598-023-29585-x

• Schuurs, Z. P., Martyn, A. P., Soltau, C. P., Beard, S., Shah, E. T., Adams, M. N., Croft, L. V., O'Byrne, K. J., Richard, D. J., & Gandhi, N. S. (2023, Nov 6). An Exploration of Small Molecules That Bind Human Single-Stranded DNA Binding Protein 1. Biology (Basel), 12(11). https://doi.org/10.3390/biology12111405

• Schuurs, Z. P., McDonald, J. P., Croft, L. V., Richard, D. J., Woodgate, R., & Gandhi, N. S. (2023). Integration of molecular modelling and in vitro studies to inhibit LexA proteolysis. Front Cell Infect Microbiol, 13, 1051602. https://doi.org/10.3389/fcimb.2023.1051602

• Tang, M., Burgess, J. T., Fisher, M., Boucher, D., Bolderson, E., Gandhi, N. S., O'Byrne, K. J., Richard, D. J., & Suraweera, A. (2023, Dec). Targeting the COMMD4-H2B protein complex in lung cancer. Br J Cancer, 129(12), 2014-2024. https://doi.org/10.1038/s41416-023-02476-8

• Chhabra, M., Wilson, J. C., Wu, L., Davies, G. J., Gandhi, N. S., & Ferro, V. (2022, Feb 19). Structural Insights into Pixatimod (PG545) Inhibition of Heparanase, a Key Enzyme in Cancer and Viral Infections. Chemistry, 28(11), e202104222. https://doi.org/10.1002/chem.202104222

• Guimond, S. E., Mycroft-West, C. J., Gandhi, N. S., Tree, J. A., Le, T. T., Spalluto, C. M., Humbert, M. V., Buttigieg, K. R., Coombes, N., Elmore, M. J., Wand, M., Nyström, K., Said, J., Setoh, Y. X., Amarilla, A. A., Modhiran, N., Sng, J. D. J., Chhabra, M., Young, P. R., Rawle, D. J., Lima, M. A., Yates, E. A., Karlsson, R., Miller, R. L., Chen, Y. H., Bagdonaite, I., Yang, Z., Stewart, J., Nguyen, D., Laidlaw, S., Hammond, E., Dredge, K., Wilkinson, T. M. A., Watterson, D., Khromykh, A. A., Suhrbier, A., Carroll, M. W., Trybala, E., Bergström, T., Ferro, V., Skidmore, M. A., & Turnbull, J. E. (2022, May 25). Synthetic Heparan Sulfate Mimetic Pixatimod (PG545) Potently Inhibits SARS-CoV-2 by Disrupting the Spike-ACE2 Interaction. ACS Cent Sci, 8(5), 527-545. https://doi.org/10.1021/acscentsci.1c01293 

• Jayarathna, D. K., Rentería, M. E., Batra, J., & Gandhi, N. S. (2022, Aug). A supervised machine learning approach identifies gene-regulating factor-mediated competing endogenous RNA networks in hormone-dependent cancers. J Cell Biochem, 123(8), 1394-1408. https://doi.org/10.1002/jcb.30300

• Jayarathna, D. K., Rentería, M. E., Kho, P. F., Batra, J., & Gandhi, N. S. (2022, Oct). Dehydroepiandrosterone Sulfate and Colorectal Cancer Risk: A Mendelian Randomization Analysis. Twin Res Hum Genet, 25(4-5), 180-186. https://doi.org/10.1017/thg.2022.31

• Jiao, F., Hossain, S. I., Sang, J., Saha, S. C., Gu, Y., Hughes, Z. E., & Gandhi, N. S. (2022, Jun 14). Molecular basis of transport of surface functionalised gold nanoparticles to pulmonary surfactant. RSC Adv, 12(28), 18012-18021. https://doi.org/10.1039/d2ra01892f

Cantrelle, F. X., Loyens, A., Trivelli, X., Reimann, O., Despres, C., Gandhi, N. S., Hackenberger, C. P. R., Landrieu, I., & Smet-Nocca, C. (2021). Phosphorylation and O-GlcNAcylation of the PHF-1 Epitope of Tau Protein Induce Local Conformational Changes of the C-Terminus and Modulate Tau Self-Assembly Into Fibrillar Aggregates. Front Mol Neurosci, 14, 661368. https://doi.org/10.3389/fnmol.2021.661368

Chhabra, M., Doherty, G. G., See, N. W., Gandhi, N. S., & Ferro, V. (2021, Nov). From Cancer to COVID-19: A Perspective on Targeting Heparan Sulfate-Protein Interactions. Chem Rec, 21(11), 3087-3101. https://doi.org/10.1002/tcr.202100125

Gandhi, N. S., Wang, E., Sorolla, A., Kan, Y. J., Malik, A., Batra, J., Young, K. A., Tie, W. J., Blancafort, P., & Mancera, R. L. (2021, Aug 28). Design and Characterization of a Cell-Penetrating Peptide Derived from the SOX2 Transcription Factor. Int J Mol Sci, 22(17). https://doi.org/10.3390/ijms22179354

Hossain, S. I., Gandhi, N. S., Hughes, Z. E., & Saha, S. C. (2021, Feb 11). Computational Studies of Lipid-Wrapped Gold Nanoparticle Transport Through Model Lung Surfactant Monolayers. J Phys Chem B, 125(5), 1392-1401. https://doi.org/10.1021/acs.jpcb.0c09518

Jayarathna, D. K., Rentería, M. E., Malik, A., Sauret, E., Batra, J., & Gandhi, N. S. (2021). Integrative Transcriptome-Wide Analyses Uncover Novel Risk-Associated MicroRNAs in Hormone-Dependent Cancers. Front Genet, 12, 716236. https://doi.org/10.3389/fgene.2021.716236

Jayarathna, D. K., Rentería, M. E., Sauret, E., Batra, J., & Gandhi, N. S. (2021, Oct 9). Identifying Complex lncRNA/Pseudogene-miRNA-mRNA Crosstalk in Hormone-Dependent Cancers. Biology (Basel), 10(10). https://doi.org/10.3390/biology10101014

Kildey, K., Gandhi, N. S., Sahin, K. B., Shah, E. T., Boittier, E., Duijf, P. H. G., Molloy, C., Burgess, J. T., Beard, S., Bolderson, E., Suraweera, A., Richard, D. J., O'Byrne, K. J., & Adams, M. N. (2021, May 28). Elevating CDCA3 levels in non-small cell lung cancer enhances sensitivity to platinum-based chemotherapy. Commun Biol, 4(1), 638. https://doi.org/10.1038/s42003-021-02136-8

Rose, M., Bai, B., Tang, M., Cheong, C. M., Beard, S., Burgess, J. T., Adams, M. N., O'Byrne, K. J., Richard, D. J., Gandhi, N. S., & Bolderson, E. (2021). The Impact of Rare Human Variants on Barrier-To-Auto-Integration Factor 1 (Banf1) Structure and Function. Front Cell Dev Biol, 9, 775441. https://doi.org/10.3389/fcell.2021.775441

Ryan, S. L., Dave, K. A., Beard, S., Gyimesi, M., McTaggart, M., Sahin, K. B., Molloy, C., Gandhi, N. S., Boittier, E., O'Leary, C. G., Shah, E. T., Bolderson, E., Baird, A. M., Richard, D. J., O'Byrne, K. J., & Adams, M. N. (2021). Identification of Proteins Deregulated by Platinum-Based Chemotherapy as Novel Biomarkers and Therapeutic Targets in Non-Small Cell Lung Cancer. Front Oncol, 11, 615967. https://doi.org/10.3389/fonc.2021.615967

Schuurs, Z. P., Hammond, E., Elli, S., Rudd, T. R., Mycroft-West, C. J., Lima, M. A., Skidmore, M. A., Karlsson, R., Chen, Y. H., Bagdonaite, I., Yang, Z., Ahmed, Y. A., Richard, D. J., Turnbull, J., Ferro, V., Coombe, D. R., & Gandhi, N. S. (2021). Evidence of a putative glycosaminoglycan binding site on the glycosylated SARS-CoV-2 spike protein N-terminal domain. Comput Struct Biotechnol J, 19, 2806-2818. https://doi.org/10.1016/j.csbj.2021.05.002

Suraweera, A., Gandhi, N. S., Beard, S., Burgess, J. T., Croft, L. V., Bolderson, E., Naqi, A., Ashton, N. W., Adams, M. N., Savage, K. I., Zhang, S. D., O'Byrne, K. J., & Richard, D. J. (2021, Apr 19). COMMD4 functions with the histone H2A-H2B dimer for the timely repair of DNA double-strand breaks. Commun Biol, 4(1), 484. https://doi.org/10.1038/s42003-021-01998-2

Malajczuk, C. J., Gandhi, N. S., & Mancera, R. L. (2021). Structure and intermolecular interactions in spheroidal high-density lipoprotein subpopulations. J Struct Biol X, 5, 100042. https://doi.org/10.1016/j.yjsbx.2020.100042

Boittier, E. D., Burns, J. M., Gandhi, N. S., & Ferro, V. (2020, Dec 28). GlycoTorch Vina: Docking Designed and Tested for Glycosaminoglycans. J Chem Inf Model, 60(12), 6328-6343. https://doi.org/10.1021/acs.jcim.0c00373

Boittier, E. D., Tang, Y. Y., Buckley, M. E., Schuurs, Z. P., Richard, D. J., & Gandhi, N. S. (2020, Jul 22). Assessing Molecular Docking Tools to Guide Targeted Drug Discovery of CD38 Inhibitors. Int J Mol Sci, 21(15). https://doi.org/10.3390/ijms21155183

Hossain, S. I., Gandhi, N. S., Hughes, Z. E., & Saha, S. C. (2020, Jul 21). The role of SP-B(1-25) peptides in lung surfactant monolayers exposed to gold nanoparticles. Phys Chem Chem Phys, 22(27), 15231-15241. https://doi.org/10.1039/d0cp00268b

Mycroft-West, C. J., Su, D., Pagani, I., Rudd, T. R., Elli, S., Gandhi, N. S., Guimond, S. E., Miller, G. J., Meneghetti, M. C. Z., Nader, H. B., Li, Y., Nunes, Q. M., Procter, P., Mancini, N., Clementi, M., Bisio, A., Forsyth, N. R., Ferro, V., Turnbull, J. E., Guerrini, M., Fernig, D. G., Vicenzi, E., Yates, E. A., Lima, M. A., & Skidmore, M. A. (2020, Dec). Heparin Inhibits Cellular Invasion by SARS-CoV-2: Structural Dependence of the Interaction of the Spike S1 Receptor-Binding Domain with Heparin. Thromb Haemost, 120(12), 1700-1715. https://doi.org/10.1055/s-0040-172131

Tang, M., Wang, X., Gandhi, N. S., Foley, B. L., Burrage, K., Woods, R. J., & Gu, Y. (2020, Sep 28). Effect of hydroxylysine-O-glycosylation on the structure of type I collagen molecule: A computational study. Glycobiology, 30(10), 830-843. https://doi.org/10.1093/glycob/cwaa026

Akhoon, B. A., Gandhi, N. S., & Pandey, R. (2019, Oct). Computational insights into the active structure of SGK1 and its implication for ligand design. Biochimie, 165, 57-66. https://doi.org/10.1016/j.biochi.2019.07.007

Boittier, E. D., Gandhi, N. S., Ferro, V., & Coombe, D. R. (2019, Mar 6). Cross-Species Analysis of Glycosaminoglycan Binding Proteins Reveals Some Animal Models Are "More Equal" than Others. Molecules, 24(5). https://doi.org/10.3390/molecules24050924

Bolderson, E., Burgess, J. T., Li, J., Gandhi, N. S., Boucher, D., Croft, L. V., Beard, S., Plowman, J. J., Suraweera, A., Adams, M. N., Naqi, A., Zhang, S. D., Sinclair, D. A., O'Byrne, K. J., & Richard, D. J. (2019, Dec 3). Barrier-to-autointegration factor 1 (Banf1) regulates poly [ADP-ribose] polymerase 1 (PARP1) activity following oxidative DNA damage. Nat Commun, 10(1), 5501. https://doi.org/10.1038/s41467-019-13167-5

Coombe, D. R., & Gandhi, N. S. (2019). Heparanase: A Challenging Cancer Drug Target. Front Oncol, 9, 1316. https://doi.org/10.3389/fonc.2019.01316

Dujardin, M., Madan, V., Gandhi, N. S., Cantrelle, F. X., Launay, H., Huvent, I., Bartenschlager, R., Lippens, G., & Hanoulle, X. (2019, Aug 30). Cyclophilin A allows the allosteric regulation of a structural motif in the disordered domain 2 of NS5A and thereby fine-tunes HCV RNA replication. J Biol Chem, 294(35), 13171-13185. https://doi.org/10.1074/jbc.RA119.009537

Hossain, S. I., Gandhi, N. S., Hughes, Z. E., Gu, Y. T., & Saha, S. C. (2019, Aug 1). Molecular insights on the interference of simplified lung surfactant models by gold nanoparticle pollutants. Biochim Biophys Acta Biomembr, 1861(8), 1458-1467. https://doi.org/10.1016/j.bbamem.2019.06.001

Modhiran, N., Gandhi, N. S., Wimmer, N., Cheung, S., Stacey, K., Young, P. R., Ferro, V., & Watterson, D. (2019, Aug). Dual targeting of dengue virus virions and NS1 protein with the heparan sulfate mimic PG545. Antiviral Res, 168, 121-127. https://doi.org/10.1016/j.antiviral.2019.05.004

Naik, R. R., Gandhi, N. S., Thakur, M., & Nanda, V. (2019, Dec 1). Analysis of crystallization phenomenon in Indian honey using molecular dynamics simulations and artificial neural network. Food Chem, 300, 125182. https://doi.org/10.1016/j.foodchem.2019.125182

Patel, D., Kharkar, P. S., Gandhi, N. S., Kaur, E., Dutt, S., & Nandave, M. (2019, Sep). Novel analogs of sulfasalazine as system x(c)(-) antiporter inhibitors: Insights from the molecular modeling studies. Drug Dev Res, 80(6), 758-777. https://doi.org/10.1002/ddr.21557

Tang, M., Gandhi, N. S., Burrage, K., & Gu, Y. (2019, Feb 13). Interaction of gold nanosurfaces/nanoparticles with collagen-like peptides. Phys Chem Chem Phys, 21(7), 3701-3711. https://doi.org/10.1039/c8cp05191g

Tang, M., Gandhi, N. S., Burrage, K., & Gu, Y. (2019, Apr 2). Adsorption of Collagen-like Peptides onto Gold Nanosurfaces. Langmuir, 35(13), 4435-4444. https://doi.org/10.1021/acs.langmuir.8b03680

Gandhi, N. S., Blancafort, P., & Mancera, R. L. (2018, Apr 27). Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps). Oncotarget, 9(32), 22383-22397. https://doi.org/10.18632/oncotarget.25025

Tang, M., Li, T., Pickering, E., Gandhi, N. S., Burrage, K., & Gu, Y. (2018, Oct). Steered molecular dynamics characterization of the elastic modulus and deformation mechanisms of single natural tropocollagen molecules. J Mech Behav Biomed Mater, 86, 359-367. https://doi.org/10.1016/j.jmbbm.2018.07.009

Zhang, H.-p., Du, A., Gandhi, N. S., Jiao, Y., Zhang, Y., Lin, X., Lu, X., & Tang, Y. (2018, 2018/10/15/). Metal-doped graphitic carbon nitride (g-C3N4) as selective NO2 sensors: A first-principles study. Applied Surface Science, 455, 1116-1122. https://doi.org/https://doi.org/10.1016/j.apsusc.2018.06.034

Tang, M., Li, T., Gandhi, N. S., Burrage, K., & Gu, Y. (2017, Jun). Heterogeneous nanomechanical properties of type I collagen in longitudinal direction. Biomech Model Mechanobiol, 16(3), 1023-1033. https://doi.org/10.1007/s10237-016-0870-6

Chandler, J. C., Gandhi, N. S., Mancera, R. L., Smith, G., Elizur, A., & Ventura, T. (2017, Aug 23). Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi. Int J Mol Sci, 18(9). https://doi.org/10.3390/ijms18091832

Lippens, G., Landrieu, I., Smet, C., Huvent, I., Gandhi, N. S., Gigant, B., Despres, C., Qi, H., & Lopez, J. (2016, Jun 7). NMR Meets Tau: Insights into Its Function and Pathology. Biomolecules, 6(2). https://doi.org/10.3390/biom6020028

Arooj, M., Gandhi, N. S., Kreck, C. A., Arrigan, D. W., & Mancera, R. L. (2016, Mar 31). Adsorption and Unfolding of Lysozyme at a Polarized Aqueous-Organic Liquid Interface. J Phys Chem B, 120(12), 3100-3112. https://doi.org/10.1021/acs.jpcb.6b00536

Gandhi, N. S., Landrieu, I., Byrne, C., Kukic, P., Amniai, L., Cantrelle, F. X., Wieruszeski, J. M., Mancera, R. L., Jacquot, Y., & Lippens, G. (2015, Jun 1). A Phosphorylation-Induced Turn Defines the Alzheimer's Disease AT8 Antibody Epitope on the Tau Protein. Angew Chem Int Ed Engl, 54(23), 6819-6823. https://doi.org/10.1002/anie.201501898

Lyons, A. J., Gandhi, N. S., & Mancera, R. L. (2014, Sep). Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment. Proteins, 82(9), 1907-1923. https://doi.org/10.1002/prot.24544

Agostino, M., Gandhi, N. S., & Mancera, R. L. (2014, Sep). Development and application of site mapping methods for the design of glycosaminoglycans. Glycobiology, 24(9), 840-851. https://doi.org/10.1093/glycob/cwu045

Zuo, Z., Gandhi, N. S., Arndt, K. M., & Mancera, R. L. (2012, Nov). Free energy calculations of the interactions of c-Jun-based synthetic peptides with the c-Fos protein. Biopolymers, 97(11), 899-909. https://doi.org/10.1002/bip.22099

Tajne, S., Sanam, R., Gundla, R., Gandhi, N. S., Mancera, R. L., Boddupally, D., Vudem, D. R., & Khareedu, V. R. (2012, Mar). Molecular modeling of Bt Cry1Ac (DI-DII)-ASAL (Allium sativum lectin)-fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sexta. J Mol Graph Model, 33, 61-76. https://doi.org/10.1016/j.jmgm.2011.11.001

Gandhi, N. S., & Mancera, R. L. (2012, Dec). Prediction of heparin binding sites in bone morphogenetic proteins (BMPs). Biochim Biophys Acta, 1824(12), 1374-1381. https://doi.org/10.1016/j.bbapap.2012.07.002

Gandhi, N. S., Freeman, C., Parish, C. R., & Mancera, R. L. (2012, Jan). Computational analyses of the catalytic and heparin-binding sites and their interactions with glycosaminoglycans in glycoside hydrolase family 79 endo-β-D-glucuronidase (heparanase). Glycobiology, 22(1), 35-55. https://doi.org/10.1093/glycob/cwr095

Gandhi, N. S., & Mancera, R. L. (2011, Feb 28). Molecular dynamics simulations of CXCL-8 and its interactions with a receptor peptide, heparin fragments, and sulfated linked cyclitols. J Chem Inf Model, 51(2), 335-358. https://doi.org/10.1021/ci1003366

Zuo, Z., Gandhi, N. S., & Mancera, R. L. (2010, Dec 27). Calculations of the free energy of interaction of the c-Fos-c-Jun coiled coil: effects of the solvation model and the inclusion of polarization effects. J Chem Inf Model, 50(12), 2201-2212. https://doi.org/10.1021/ci100321h

Gandhi, N. S., & Mancera, R. L. (2010, Mar 30). Can current force fields reproduce ring puckering in 2-O-sulfo-alpha-L-iduronic acid? A molecular dynamics simulation study. Carbohydr Res, 345(5), 689-695. https://doi.org/10.1016/j.carres.2009.12.020

Gandhi, N. S., & Mancera, R. L. (2010, Dec). Heparin/heparan sulphate-based drugs. Drug Discov Today, 15(23-24), 1058-1069. https://doi.org/10.1016/j.drudis.2010.10.009

Gandhi, N. S., & Mancera, R. L. (2009, Oct). Free energy calculations of glycosaminoglycan-protein interactions. Glycobiology, 19(10), 1103-1115. https://doi.org/10.1093/glycob/cwp101

Rentería, M. E., Gandhi, N. S., Vinuesa, P., Helmerhorst, E., & Mancera, R. L. (2008). A comparative structural bioinformatics analysis of the insulin receptor family ectodomain based on phylogenetic information. PLoS One, 3(11), e3667. https://doi.org/10.1371/journal.pone.0003667

Kumar Srivastava, B., Soni, R., Patel, J. Z., Jha, S., Shedage, S. A., Gandhi, N., Sairam, K. V., Pawar, V., Sadhwani, N., Mitra, P., Jain, M. R., & Patel, P. R. (2008, Jul 15). Facile synthesis, ex-vivo and in vitro screening of 3-sulfonamide derivative of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (SR141716) a potent CB1 receptor antagonist. Bioorg Med Chem Lett, 18(14), 3882-3886. https://doi.org/10.1016/j.bmcl.2008.06.045

Gandhi, N. S., & Mancera, R. L. (2008, Dec). The structure of glycosaminoglycans and their interactions with proteins. Chem Biol Drug Des, 72(6), 455-482. https://doi.org/10.1111/j.1747-0285.2008.00741.x

Raval, S., Raval, P., Bandyopadhyay, D., Soni, K., Yevale, D., Jogiya, D., Modi, H., Joharapurkar, A., Gandhi, N., Jain, M. R., & Patel, P. R. (2008, Jul 15). Design and synthesis of novel 3-hydroxy-cyclobut-3-ene-1,2-dione derivatives as thyroid hormone receptor beta (TR-beta) selective ligands. Bioorg Med Chem Lett, 18(14), 3919-3924. https://doi.org/10.1016/j.bmcl.2008.06.038

Gandhi, N. S., Young, K., Warmington, J. R., & Mancera, R. L. (2008). Characterization of sequence and structural features of the Candida krusei enolase. In Silico Biol, 8(5-6), 449-460.

Gandhi, N. S., Coombe, D. R., & Mancera, R. L. (2008, Apr 29). Platelet endothelial cell adhesion molecule 1 (PECAM-1) and its interactions with glycosaminoglycans: 1. Molecular modeling studies. Biochemistry, 47(17), 4851-4862. https://doi.org/10.1021/bi702455e

Coombe, D. R., Stevenson, S. M., Kinnear, B. F., Gandhi, N. S., Mancera, R. L., Osmond, R. I., & Kett, W. C. (2008, Apr 29). Platelet endothelial cell adhesion molecule 1 (PECAM-1) and its interactions with glycosaminoglycans: 2. Biochemical analyses. Biochemistry, 47(17), 4863-4875. https://doi.org/10.1021/bi7024595

Srivastava, B. K., Joharapurkar, A., Raval, S., Patel, J. Z., Soni, R., Raval, P., Gite, A., Goswami, A., Sadhwani, N., Gandhi, N., Patel, H., Mishra, B., Solanki, M., Pandey, B., Jain, M. R., & Patel, P. R. (2007, Nov 29). Diaryl dihydropyrazole-3-carboxamides with significant in vivo antiobesity activity related to CB1 receptor antagonism: synthesis, biological evaluation, and molecular modeling in the homology model. J Med Chem, 50(24), 5951-5966. https://doi.org/10.1021/jm061490u

Lohray, B. B., Gandhi, N., Srivastava, B. K., & Lohray, V. B. (2006, Jul 15). 3D QSAR studies of N-4-arylacryloylpiperazin-1-yl-phenyl-oxazolidinones: a novel class of antibacterial agents. Bioorg Med Chem Lett, 16(14), 3817-3823. https://doi.org/10.1016/j.bmcl.2006.04.023

Gandhi, N. (2006). 3D QSAR analysis of oxazolidinone antibacterials: can we predict?. ARKIVOC, 16, 109-121

Gandhi, N., Srivastava, B. K., Lohray, V. B., & Lohray, B. B. (2004). Oxazolidine-2-thiones: a molecular modeling study. Tetrahedron letters, 45(33), 6269-6272.