Das P - Search Results

1

Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction.

Das P, Moll M, Stamati H, Kavraki LE, Clementi C. Das P, et al. Proc Natl Acad Sci U S A. 2006 Jun 27;103(26):9885-90. doi: 10.1073/pnas.0603553103. Epub 2006 Jun 19. Proc Natl Acad Sci U S A. 2006. PMID: 16785435 Free PMC article.

2

Balancing energy and entropy: a minimalist model for the characterization of protein folding landscapes.

Das P, Matysiak S, Clementi C. Das P, et al. Proc Natl Acad Sci U S A. 2005 Jul 19;102(29):10141-6. doi: 10.1073/pnas.0409471102. Epub 2005 Jul 8. Proc Natl Acad Sci U S A. 2005. PMID: 16006532 Free PMC article.

3

Characterization of the folding landscape of monomeric lactose repressor: quantitative comparison of theory and experiment.

Das P, Wilson CJ, Fossati G, Wittung-Stafshede P, Matthews KS, Clementi C. Das P, et al. Proc Natl Acad Sci U S A. 2005 Oct 11;102(41):14569-74. doi: 10.1073/pnas.0505844102. Epub 2005 Oct 3. Proc Natl Acad Sci U S A. 2005. PMID: 16203982 Free PMC article.

4

The experimental folding landscape of monomeric lactose repressor, a large two-domain protein, involves two kinetic intermediates.

Wilson CJ, Das P, Clementi C, Matthews KS, Wittung-Stafshede P. Wilson CJ, et al. Among authors: das p. Proc Natl Acad Sci U S A. 2005 Oct 11;102(41):14563-8. doi: 10.1073/pnas.0505808102. Epub 2005 Oct 3. Proc Natl Acad Sci U S A. 2005. PMID: 16203983 Free PMC article.

5

Prediction of drug metabolites using neural machine translation.

Litsa EE, Das P, Kavraki LE. Litsa EE, et al. Among authors: das p. Chem Sci. 2020 Sep 24;11(47):12777-12788. doi: 10.1039/d0sc02639e. Chem Sci. 2020. PMID: 34094473 Free PMC article.

6

Machine learning models in the prediction of drug metabolism: challenges and future perspectives.

Litsa EE, Das P, Kavraki LE. Litsa EE, et al. Among authors: das p. Expert Opin Drug Metab Toxicol. 2021 Nov;17(11):1245-1247. doi: 10.1080/17425255.2021.1998454. Epub 2021 Nov 2. Expert Opin Drug Metab Toxicol. 2021. PMID: 34706606 Free PMC article. No abstract available.

7

An end-to-end deep learning framework for translating mass spectra to de-novo molecules.

Litsa EE, Chenthamarakshan V, Das P, Kavraki LE. Litsa EE, et al. Among authors: das p. Commun Chem. 2023 Jun 23;6(1):132. doi: 10.1038/s42004-023-00932-3. Commun Chem. 2023. PMID: 37353554 Free PMC article.

8

Aggregation of γ-crystallins associated with human cataracts via domain swapping at the C-terminal β-strands.

Das P, King JA, Zhou R. Das P, et al. Proc Natl Acad Sci U S A. 2011 Jun 28;108(26):10514-9. doi: 10.1073/pnas.1019152108. Epub 2011 Jun 13. Proc Natl Acad Sci U S A. 2011. PMID: 21670251 Free PMC article.

9

Multistage unfolding of an SH3 domain: an initial urea-filled dry molten globule precedes a wet molten globule with non-native structure.

Dasgupta A, Udgaonkar JB, Das P. Dasgupta A, et al. Among authors: das p. J Phys Chem B. 2014 Jun 19;118(24):6380-92. doi: 10.1021/jp410019f. Epub 2014 Apr 7. J Phys Chem B. 2014. PMID: 24661021

10

Interplay between Conformational Heterogeneity and Hydration in the Folding Landscape of a Designed Three-Helix Bundle.

Custer GS, Das P, Matysiak S. Custer GS, et al. Among authors: das p. J Phys Chem B. 2017 Apr 6;121(13):2731-2738. doi: 10.1021/acs.jpcb.6b12286. Epub 2017 Mar 23. J Phys Chem B. 2017. PMID: 28282142

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