Mahajan SP - Search Results

1

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies.

Ruffolo JA, Chu LS, Mahajan SP, Gray JJ. Ruffolo JA, et al. Among authors: mahajan sp. Nat Commun. 2023 Apr 25;14(1):2389. doi: 10.1038/s41467-023-38063-x. Nat Commun. 2023. PMID: 37185622 Free PMC article.

2

Geometric potentials from deep learning improve prediction of CDR H3 loop structures.

Ruffolo JA, Guerra C, Mahajan SP, Sulam J, Gray JJ. Ruffolo JA, et al. Among authors: mahajan sp. Bioinformatics. 2020 Jul 1;36(Suppl_1):i268-i275. doi: 10.1093/bioinformatics/btaa457. Bioinformatics. 2020. PMID: 32657412 Free PMC article.

3

Simultaneous prediction of antibody backbone and side-chain conformations with deep learning.

Akpinaroglu D, Ruffolo JA, Mahajan SP, Gray JJ. Akpinaroglu D, et al. Among authors: mahajan sp. PLoS One. 2022 Jun 15;17(6):e0258173. doi: 10.1371/journal.pone.0258173. eCollection 2022. PLoS One. 2022. PMID: 35704640 Free PMC article.

4

Hallucinating structure-conditioned antibody libraries for target-specific binders.

Mahajan SP, Ruffolo JA, Frick R, Gray JJ. Mahajan SP, et al. Front Immunol. 2022 Oct 21;13:999034. doi: 10.3389/fimmu.2022.999034. eCollection 2022. Front Immunol. 2022. PMID: 36341416 Free PMC article.

5

Deep Learning in Protein Structural Modeling and Design.

Gao W, Mahajan SP, Sulam J, Gray JJ. Gao W, et al. Among authors: mahajan sp. Patterns (N Y). 2020 Nov 12;1(9):100142. doi: 10.1016/j.patter.2020.100142. eCollection 2020 Dec 11. Patterns (N Y). 2020. PMID: 33336200 Free PMC article. Review.

6

Induced fit with replica exchange improves protein complex structure prediction.

Harmalkar A, Mahajan SP, Gray JJ. Harmalkar A, et al. Among authors: mahajan sp. PLoS Comput Biol. 2022 Jun 3;18(6):e1010124. doi: 10.1371/journal.pcbi.1010124. eCollection 2022 Jun. PLoS Comput Biol. 2022. PMID: 35658008 Free PMC article.

7

The structure of the colorectal cancer-associated enzyme GalNAc-T12 reveals how nonconserved residues dictate its function.

Fernandez AJ, Daniel EJP, Mahajan SP, Gray JJ, Gerken TA, Tabak LA, Samara NL. Fernandez AJ, et al. Among authors: mahajan sp. Proc Natl Acad Sci U S A. 2019 Oct 8;116(41):20404-20410. doi: 10.1073/pnas.1902211116. Epub 2019 Sep 23. Proc Natl Acad Sci U S A. 2019. PMID: 31548401 Free PMC article.

8

Structural basis for peptide substrate specificities of glycosyltransferase GalNAc-T2.

Mahajan SP, Srinivasan Y, Labonte JW, DeLisa MP, Gray JJ. Mahajan SP, et al. ACS Catal. 2021 Mar 5;11(5):2977-2991. doi: 10.1021/acscatal.0c04609. Epub 2021 Feb 19. ACS Catal. 2021. PMID: 34322281 Free PMC article.

9

Computational affinity maturation of camelid single-domain intrabodies against the nonamyloid component of alpha-synuclein.

Mahajan SP, Meksiriporn B, Waraho-Zhmayev D, Weyant KB, Kocer I, Butler DC, Messer A, Escobedo FA, DeLisa MP. Mahajan SP, et al. Sci Rep. 2018 Dec 4;8(1):17611. doi: 10.1038/s41598-018-35464-7. Sci Rep. 2018. PMID: 30514850 Free PMC article.

10

Tilting the balance between canonical and noncanonical conformations for the H1 hypervariable loop of a llama VHH through point mutations.

Mahajan SP, Velez-Vega C, Escobedo FA. Mahajan SP, et al. J Phys Chem B. 2013 Jan 10;117(1):13-24. doi: 10.1021/jp3075496. Epub 2012 Dec 27. J Phys Chem B. 2013. PMID: 23231492

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