For latest publications, visit the Google Scholar page.

N. Nandwani, P. Surana, H. Negi, N. M. Mascarenhas, J. B. Udgaonkar, R. Das and S. Gosavi
"A five-residue motif for the design of domain swapping in proteins."
Nat. Comm., 10, 452, 2019.

S. Neelamraju, S. Gosavi and D. J. Wales
"Energy landscape of the designed protein Top7."
J. Phys. Chem. B, 122, 12282-12291, 2018.

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

V. V. Hemanth G. R. and S. Gosavi
"On the folding of a structurally complex protein to its metastable active state."
Proc. Natl. Acad. Sci., 115, 1998-2003, 2018.

N. M. Mascarenhas, V. L. Terse and S. Gosavi
"Intrinsic Disorder in a Well-Folded Globular Protein."
J. Phys. Chem. B, 122, 1876-1884, 2018.

V. Mandalaparthy, V. R. Sanaboyana, H. Rafalia and S. Gosavi
"Exploring the effects of sparse restraints on protein structure prediction."
Proteins, 86, 248-262, 2018.

S. Yadahalli, J. Li, D. P. Lane, S. Gosavi and C. S. Verma.
"Characterizing the conformational landscape of MDM2-binding p53 peptides using Molecular Dynamics simulations."
Sci. Rep., 7, 15600, 2017.

N. M. Mascarenhas and S. Gosavi
"Understanding protein domain-swapping using structure-based models of protein folding."
Prog. Biophys. Mol. Biol., 128, 113-120, 2017.

N. Nandwani, P. Surana, J. B. Udgaonkar, R. Das and S. Gosavi
"Amino‐acid composition after loop deletion drives domain swapping."
Prot. Sci., 26, 1994-2002, 2017.

S. Yadahalli and S. Gosavi
"Packing energetics determine the folding routes of the RNase-H proteins."
Phys. Chem. Chem. Phys., 19, 9164-9173, 2017.

V. V. Hemanth G. R., R. Desikan, K. G. Ayappa, and S. Gosavi
"Capturing the Membrane-Triggered Conformational Transition of an α-Helical Pore-Forming Toxin"
J. Phys. Chem. B, 120, 12064-12078, 2016.

N. M. Mascarenhas and S. Gosavi
"Protein Domain-Swapping Can Be a Consequence of Functional Residues"
J. Phys. Chem. B, 120, 6929-6938, 2016.

V. V. Hemanth G. R. and S. Gosavi
"Using the folding landscapes of proteins to understand protein function"
Curr. Op. Struct. Biol., 36, 67-74, 2016.

S. Yadahalli and S. Gosavi
"Functionally relevant specific packing can determine protein folding routes"
J. Mol. Biol., 428, 509-521, 2016.

A. Broom, S. M. Ma, K. Xia, H. Rafalia, K. Trainor, W. Colón, S. Gosavi and E. M. Meiering
"Designed protein reveals structural determinants of extreme kinetic stability"
Proc. Natl. Acad. Sci., 112, 14605-14610, 2015.

V. V. Hemanth G. R. and S. Gosavi
"Structural Perturbations Present in the Folding Cores of Interleukin-33 and Interleukin-1β Correlate to Differences in Their Function"
J. Phys. Chem. B, 119, 11203-11214, 2015.

A. Broom, S. Gosavi and E. M. Meiering
"Protein unfolding rates correlate as strongly as folding rates with native structure"
Prot. Sci., 24, 580-587, 2015.

V. V. Hemanth G. R. and S. Gosavi
"In the multi-domain protein adenylate kinase, domain insertion facilitates cooperative folding while accommodating function at domain interfaces"
PLOS Comput. Biol., 10, e1003938, 2014.

S. Yadahalli, V. V. Hemanth G. R. and S. Gosavi
"Modeling Non-Native Interactions in Designed Proteins"
Isr. J. Chem., 54, 1230-1240, 2014.

S. Yadahalli and S. Gosavi
"Designing cooperativity into the designed protein Top7"
Proteins, 82, 364-374, 2014.

S. Gosavi
"Understanding the folding-function tradeoff in proteins"
PLOS ONE, 8, e61222, 2013.

D. T. Capraro, S. Gosavi, M. Roy, J. N. Onuchic, and P. A. Jennings
"Folding circular permutants of IL-1β: Route selection driven by functional frustration"
PLOS ONE, 7, e38512, 2012.

D. T. Capraro, M. Roy, J. N. Onuchic, S. Gosavi and P. A. Jennings
"β-Bulge triggers route-switching on the functional landscape of interleukin-1β"
Proc. Natl. Acad. Sci., 109, 1490-1493, 2012.

2009 and earlier:

P. C. Whitford, J. K. Noel, S. Gosavi, A. Schug, K. Y. Sanbonmatsu and J. N. Onuchic
"An All-atom Structure-Based Potential for Proteins: Bridging Minimal Models with All-atom Empirical Forcefields"
Proteins, 75, 430-41, 2009.

B. Andrews, S. Gosavi, J. M. Finke, J. N. Onuchic and P. A. Jennings
"The Multiple Basin Landscape in GFP Folding"
Proc. Natl. Acad. Sci., 105, p. 12283, 2008.

S. Gosavi, P. C. Whitford, P. A. Jennings and J. N. Onuchic
"Extracting Function from a β-Trefoil Folding Motif"
Proc. Natl. Acad. Sci., 105, p. 10384, 2008.

P. C. Whitford, S. Gosavi and J. N. Onuchic
"Conformational transitions in adenylate kinase: Allosteric communication reduces misligation"
J. Biol. Chem., 283, p. 2042, 2008.

L. L. Chavez, S. Gosavi, P. A. Jennings and J. N. Onuchic
"Multiple routes lead to the native state in the energy landscape of the β-trefoil family"
Proc. Natl. Acad. Sci., 103, p. 10254, 2006.

S. Gosavi, L. L. Chavez, P. A. Jennings and J. N. Onuchic
"Topological Frustration and the folding of Interleukin-1β"
J. Mol. Biol., 357, p. 986, 2006.

S. Gosavi and R. A. Marcus
"Inverse Photoemission at Metal Electrodes"
Electrochim. Acta., 40, p. 3, 2003.

S. Gosavi, Y. Q. Gao and R. A. Marcus
"Temperature Dependence of the Electronic Factor in the Nonadiabatic Electron Transfer at Metal and Semiconductor Electrodes"
J. Electroanal. Chem., 500, p. 71, 2001.

S. Gosavi and R. A. Marcus
"Nonadiabatic Electron Transfer at Metal Surfaces"
J. Phys. Chem. B, 104, p. 2067, 2000.