Publications

Anderson DM, Jayanthi LP, Gosavi S, Meiering EM.  2023.  Engineering the kinetic stability of a β-trefoil protein by tuning its topological complexity.. Front Mol Biosci. 10:1021733.

Banerjee A, Gosavi S.  2023.  Potential Self-Peptide Inhibitors of the SARS-CoV-2 Main Protease.. J Phys Chem B. 127(4):855-865.

Prakash DLalwani, Gosavi S.  2022.  The diversity of protein-protein interaction interfaces within T=3 icosahedral viral capsids.. Front Mol Biosci. 9:967877.

Neelamraju S, Gosavi S, Wales DJ.  2022.  The energy landscape perspective: cutting a Gordian knot. Frontiers of Nanoscience. 21:1–18.

Yadahalli S, Jayanthi LP, Gosavi S.  2022.  A Method for Assessing the Robustness of Protein Structures by Randomizing Packing Interactions.. Front Mol Biosci. 9:849272.

Lall S, Balaram P, Gosavi S, Mathew MK.  2021.  Dynamics and self-assembly of the SARS-CoV-2 spike transmembrane domain. bioRxiv. :2021–06.

Terse VL, Gosavi S.  2021.  The Molecular Mechanism of Domain Swapping of the C-Terminal Domain of the SARS-Coronavirus Main Protease.. Biophys J. 120(3):504-516.

Das A, Yadav A, Gupta M, R P, Terse VL, Vishvakarma V, Singh S, Nandi T, Banerjee A, Mandal K et al..  2021.  Rational Design of Protein-Specific Folding Modifiers.. J Am Chem Soc. 143(44):18766-18776.

Das A, Yadav A, Gupta M, Terse VL, Vishvakarma V, Singh S, Nandi T, Banerjee A, Mandal K, Gosavi S et al..  2021.  Rational design of protein-specific folding modifiers. Journal of the American Chemical Society. 143:18766–18776.

Prakash DLalwani, Gosavi S.  2021.  Understanding the Folding Mediated Assembly of the Bacteriophage MS2 Coat Protein Dimers.. J Phys Chem B. 125(31):8722-8732.

Gosavi S, Schuler B.  2020.  Editorial overview: Molecular interactions that drive folding and binding: new challenges and opportunities.. Curr Opin Struct Biol. 60:iii-iv.

Neelamraju S, Wales DJ, Gosavi S.  2020.  Protein energy landscape exploration with structure-based models.. Curr Opin Struct Biol. 64:145-151.

Jayanthi LP, Mascarenhas NManuel, Gosavi S.  2020.  Structure dictates the mechanism of ligand recognition in the histidine and maltose binding proteins.. Curr Res Struct Biol. 2:180-190.

Gershenson A, Gosavi S, Faccioli P, Wintrode PL.  2020.  Successes and challenges in simulating the folding of large proteins.. J Biol Chem. 295(1):15-33.

Nandwani N, Surana P, Negi H, Mascarenhas NM, Udgaonkar JB, Das R, Gosavi S.  2019.  A five-residue motif for the design of domain swapping in proteins.. Nat Commun. 10(1):452.

Neelamraju S, Wales DJ, Gosavi S.  2019.  Go-Kit: A Tool To Enable Energy Landscape Exploration of Proteins.. J Chem Inf Model. 59(5):1703-1708.

Neelamraju S, Gosavi S, Wales DJ.  2018.  Energy Landscape of the Designed Protein Top7.. J Phys Chem B. 122(51):12282-12291.

Rao VVHemanth, Gosavi S.  2018.  On the folding of a structurally complex protein to its metastable active state.. Proc Natl Acad Sci U S A. 115(9):1998-2003.

Mascarenhas NManuel, Terse VL, Gosavi S.  2018.  Intrinsic Disorder in a Well-Folded Globular Protein. The Journal of Physical Chemistry BThe Journal of Physical Chemistry B. 122(6):1876-1884.

Terse VL, Gosavi S.  2018.  The Sensitivity of Computational Protein Folding to Contact Map Perturbations: The Case of Ubiquitin Folding and Function.. J Phys Chem B. 122(49):11497-11507.

Mandalaparthy V, Sanaboyana VRamana, Rafalia H, Gosavi S.  2017.  Exploring the effects of sparse restraints on protein structure prediction. Proteins: Structure, Function, and BioinformaticsProteins: Structure, Function, and BioinformaticsProteins. 86(2):248-262.

Mascarenhas NManuel, Gosavi S.  2016.  Protein Domain-Swapping Can Be a Consequence of Functional Residues.. J Phys Chem B. 120(28):6929-38.

Rao VVHemanth Gi, Gosavi S.  2016.  Using the folding landscapes of proteins to understand protein function. Current opinion in structural biology. 36:67–74.

Broom A, S Ma M, Xia K, Rafalia H, Trainor K, Colón W, Gosavi S, Meiering EM.  2015.  Designed protein reveals structural determinants of extreme kinetic stability. Proceedings of the National Academy of Sciences. 112:14605–14610.

Broom A, Gosavi S, Meiering EM.  2015.  Protein unfolding rates correlate as strongly as folding rates with native structure.. Protein Sci. 24(4):580-7.