Chakrabarti M - Search Results

1

DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking.

Balius TE, Tan YS, Chakrabarti M. Balius TE, et al. Among authors: chakrabarti m. J Comput Chem. 2024 Jan 5;45(1):47-63. doi: 10.1002/jcc.27218. Epub 2023 Sep 25. J Comput Chem. 2024. PMID: 37743732

2

Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.

Finci LI, Chakrabarti M, Gulten G, Finney J, Grose C, Fox T, Yang R, Nissley DV, McCormick F, Esposito D, Balius TE, Simanshu DK. Finci LI, et al. Among authors: chakrabarti m. Commun Biol. 2024 Mar 2;7(1):260. doi: 10.1038/s42003-024-05959-3. Commun Biol. 2024. PMID: 38431713 Free PMC article.

3

Considerations Around Structure-Based Drug Discovery for KRAS Using DOCK.

Chakrabarti M, Tan YS, Balius TE. Chakrabarti M, et al. Methods Mol Biol. 2024;2797:67-90. doi: 10.1007/978-1-0716-3822-4_6. Methods Mol Biol. 2024. PMID: 38570453

4

Development of Receptor Desolvation Scoring and Covalent Sampling in DOCK 6: Methods Evaluated on a RAS Test Set.

Tan YS, Chakrabarti M, Stein RM, Prentis LE, Rizzo RC, Kurtzman T, Fischer M, Balius TE. Tan YS, et al. Among authors: chakrabarti m. J Chem Inf Model. 2025 Jan 6. doi: 10.1021/acs.jcim.4c01623. Online ahead of print. J Chem Inf Model. 2025. PMID: 39757424

5

Sodium/Iodide Symporter Metastable Intermediates Provide Insights into Conformational Transition between Principal Thermodynamic States.

Chakrabarti M, Amzel LM, Lau AY. Chakrabarti M, et al. J Phys Chem B. 2023 Feb 23;127(7):1540-1551. doi: 10.1021/acs.jpcb.2c07604. Epub 2023 Feb 9. J Phys Chem B. 2023. PMID: 36758032

6

Comparison of the Conformations of KRAS Isoforms, K-Ras4A and K-Ras4B, Points to Similarities and Significant Differences.

Chakrabarti M, Jang H, Nussinov R. Chakrabarti M, et al. J Phys Chem B. 2016 Feb 4;120(4):667-79. doi: 10.1021/acs.jpcb.5b11110. Epub 2016 Jan 27. J Phys Chem B. 2016. PMID: 26761128 Free PMC article.

7

A New View of Ras Isoforms in Cancers.

Nussinov R, Tsai CJ, Chakrabarti M, Jang H. Nussinov R, et al. Among authors: chakrabarti m. Cancer Res. 2016 Jan 1;76(1):18-23. doi: 10.1158/0008-5472.CAN-15-1536. Epub 2015 Dec 10. Cancer Res. 2016. PMID: 26659836 Free PMC article. Review.

8

Kinematic Alignment Does Not Result in Clinically Important Improvements After TKA Compared With Mechanical Alignment: A Meta-analysis of Randomized Trials.

Nucci N, Chakrabarti M, DeVries Z, Ekhtiari S, Tomescu S, Mundi R. Nucci N, et al. Among authors: chakrabarti m. Clin Orthop Relat Res. 2025 Jan 21. doi: 10.1097/CORR.0000000000003356. Online ahead of print. Clin Orthop Relat Res. 2025. PMID: 39842026

9

Nucleotide-resolution Mapping of RNA N6-Methyladenosine (m6A) modifications and comprehensive analysis of global polyadenylation events in mRNA 3' end processing in malaria pathogen Plasmodium falciparum.

Catacalos-Goad C, Chakrabarti M, Salem DH, Camporeale C, Somalraju S, Tegowski M, Singh R, Reid RW, Janies DA, Meyer KD, Janga SC, Hunt AG, Chakrabarti K. Catacalos-Goad C, et al. Among authors: chakrabarti m. bioRxiv [Preprint]. 2025 Jan 8:2025.01.07.631827. doi: 10.1101/2025.01.07.631827. bioRxiv. 2025. PMID: 39829786 Free PMC article. Preprint.

10

Intraspecific variability of rice root knot nematodes across diverse agroecosystems for sustainable management.

Mondal S, Purohit A, Hazra A, Das S, Chakrabarti M, Khan MR, Lopez-Nicora H, Chakraborti D, Mukherjee A. Mondal S, et al. Among authors: chakrabarti m. Sci Rep. 2024 Dec 3;14(1):30032. doi: 10.1038/s41598-024-73980-x. Sci Rep. 2024. PMID: 39627244 Free PMC article.

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