Roy A - Search Results

1

Gex2SGen: Designing Drug-like Molecules from Desired Gene Expression Signatures.

Das D, Chakrabarty B, Srinivasan R, Roy A. Das D, et al. Among authors: roy a. J Chem Inf Model. 2023 Apr 10;63(7):1882-1893. doi: 10.1021/acs.jcim.2c01301. Epub 2023 Mar 27. J Chem Inf Model. 2023. PMID: 36971750

2

Human hydroxymethylbilane synthase: Molecular dynamics of the pyrrole chain elongation identifies step-specific residues that cause AIP.

Bung N, Roy A, Chen B, Das D, Pradhan M, Yasuda M, New MI, Desnick RJ, Bulusu G. Bung N, et al. Among authors: roy a. Proc Natl Acad Sci U S A. 2018 Apr 24;115(17):E4071-E4080. doi: 10.1073/pnas.1719267115. Epub 2018 Apr 9. Proc Natl Acad Sci U S A. 2018. PMID: 29632172 Free PMC article.

3

A network-based approach reveals novel invasion and Maurer's clefts-related proteins in Plasmodium falciparum.

Das D, Krishnan SR, Roy A, Bulusu G. Das D, et al. Among authors: roy a. Mol Omics. 2019 Dec 2;15(6):431-441. doi: 10.1039/c9mo00124g. Mol Omics. 2019. PMID: 31631203

4

Network analysis of hydroxymethylbilane synthase dynamics.

Chakrabarty B, Das D, Bung N, Roy A, Bulusu G. Chakrabarty B, et al. Among authors: roy a. J Mol Graph Model. 2020 Sep;99:107641. doi: 10.1016/j.jmgm.2020.107641. Epub 2020 Jun 18. J Mol Graph Model. 2020. PMID: 32619952

5

Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning.

Krishnan SR, Bung N, Bulusu G, Roy A. Krishnan SR, et al. Among authors: roy a. J Chem Inf Model. 2021 Feb 22;61(2):621-630. doi: 10.1021/acs.jcim.0c01060. Epub 2021 Jan 25. J Chem Inf Model. 2021. PMID: 33491455

6

Network-Based Analysis of Fatal Comorbidities of COVID-19 and Potential Therapeutics.

Chakrabarty B, Das D, Bulusu G, Roy A. Chakrabarty B, et al. Among authors: roy a. IEEE/ACM Trans Comput Biol Bioinform. 2021 Jul-Aug;18(4):1271-1280. doi: 10.1109/TCBB.2021.3075299. Epub 2021 Aug 6. IEEE/ACM Trans Comput Biol Bioinform. 2021. PMID: 33891554 Free PMC article.

7

De Novo Structure-Based Drug Design Using Deep Learning.

Krishnan SR, Bung N, Vangala SR, Srinivasan R, Bulusu G, Roy A. Krishnan SR, et al. Among authors: roy a. J Chem Inf Model. 2022 Nov 14;62(21):5100-5109. doi: 10.1021/acs.jcim.1c01319. Epub 2021 Nov 18. J Chem Inf Model. 2022. PMID: 34792338 Review.

8

An In Silico Explainable Multiparameter Optimization Approach for De Novo Drug Design against Proteins from the Central Nervous System.

Bung N, Krishnan SR, Roy A. Bung N, et al. Among authors: roy a. J Chem Inf Model. 2022 Jun 13;62(11):2685-2695. doi: 10.1021/acs.jcim.2c00462. Epub 2022 May 17. J Chem Inf Model. 2022. PMID: 35581002 Review.

9

De novo design of anti-tuberculosis agents using a structure-based deep learning method.

Krishnan SR, Bung N, Padhi S, Bulusu G, Misra P, Pal M, Oruganti S, Srinivasan R, Roy A. Krishnan SR, et al. Among authors: roy a. J Mol Graph Model. 2023 Jan;118:108361. doi: 10.1016/j.jmgm.2022.108361. Epub 2022 Oct 13. J Mol Graph Model. 2023. PMID: 36257148

10

pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules.

Vangala SR, Krishnan SR, Bung N, Srinivasan R, Roy A. Vangala SR, et al. Among authors: roy a. J Chem Inf Model. 2023 Aug 28;63(16):5066-5076. doi: 10.1021/acs.jcim.3c00689. Epub 2023 Aug 16. J Chem Inf Model. 2023. PMID: 37585609

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

6,720 results

Search Page