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Publications

January 2, 2025, Filed Under: 1999, Publications

Pair potentials for protein folding: choice of reference states and sensitivity of predicted native states to variations in the interaction schemes.

Citation:

Betancourt, M. R. ; Thirumalai, D. Pair potentials for protein folding: choice of reference states and sensitivity of predicted native states to variations in the interaction schemes. Protein Sci 8 361-9.

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pair-potentials-for-protein-folding-choice-of-reference-states-and-sensitivity-of_predicted-motive-states-to-variations-in-the-interaction-schemes.pdf360 KB

Last updated on 08/18/2017

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January 2, 2025, Filed Under: 1999, Publications

Stretching single-domain proteins: phase diagram and kinetics of force-induced unfolding.

Citation:

Klimov, D. K. ; Thirumalai, D. Stretching single-domain proteins: phase diagram and kinetics of force-induced unfolding. Proc Natl Acad Sci U S A 96, 6166-70.

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stretching-single-domain-proteins-phase-diagram-and-kinetics-of-force-induced-unfolding.pdf195 KB

Last updated on 01/03/2018

  • PubMed

January 2, 2025, Filed Under: 1998, Publications

Cooperativity in protein folding: from lattice models with sidechains to real proteins.

Citation:

Klimov, D. K. ; Thirumalai, D. Cooperativity in protein folding: from lattice models with sidechains to real proteins. Fold Des 3 127-39.

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January 2, 2025, Filed Under: 1998, Publications

Hydration for a series of hydrocarbons.

Citation:

Mountain, R. D. ; Thirumalai, D. Hydration for a series of hydrocarbons. Proc Natl Acad Sci U S A 95, 8436-40.

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hydration-for-a-series-of-hydrocarbons.pdf204 KB

Last updated on 01/03/2018

  • PubMed

January 2, 2025, Filed Under: 1998, Publications

Lattice models for proteins reveal multiple folding nuclei for nucleation-collapse mechanism.

Citation:

Klimov, D. K. ; Thirumalai, D. Lattice models for proteins reveal multiple folding nuclei for nucleation-collapse mechanism. J Mol Biol 282, 471-92.

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January 2, 2025, Filed Under: 1998, Publications

Native secondary structure formation in RNA may be a slave to tertiary folding.

Citation:

Thirumalai, D. Native secondary structure formation in RNA may be a slave to tertiary folding. Proc Natl Acad Sci U S A 95, 11506-8.

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native-secondary-structure-formation-in-rna-may-be-a-slave-to-tertiary-folding.pdf163 KB

Last updated on 01/03/2018

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January 2, 2025, Filed Under: 1998, Publications

Virtual atom representation of hydrogen bonds in minimal off-lattice models of alpha helices: effect on stability, cooperativity and kinetics.

Citation:

Klimov, D. K. ; Betancourt, M. R. ; Thirumalai, D. Virtual atom representation of hydrogen bonds in minimal off-lattice models of alpha helices: effect on stability, cooperativity and kinetics. Fold Des 3 481-96.

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virtual-atom-representation-of-hydrogen-bonds-in-minimal-off-lattice-models-of-a-helices-effect-on-stability-cooperativity-and-kinetics.pdf1.71 MB

Last updated on 08/18/2017

  • PubMed

January 2, 2025, Filed Under: 1998, Publications

Fishing for folding nuclei in lattice models and proteins.

Citation:

Thirumalai, D. ; Klimov, D. K. Fishing for folding nuclei in lattice models and proteins. Fold Des 3 R112-8; discussion R107.

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January 2, 2025, Filed Under: 1997, Publications

Folding of RNA involves parallel pathways.

Citation:

Pan, J. ; Thirumalai, D. ; Woodson, S. A. Folding of RNA involves parallel pathways. J Mol Biol 273, 7-13.

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January 2, 2025, Filed Under: 1997, Publications

Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water.

Citation:

Mohanty, D. ; Elber, R. ; Thirumalai, D. ; Beglov, D. ; Roux, B. Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water. J Mol Biol 272, 423-42.

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