Arijit Roy - Publications, H-index & Citations

Arijit Roy

tata consultancy services limited

20H指数

68论文数

1.1K被引数

收录论文 22

发表时间

Towards next-generation 5-hydroxytryptamine 2C receptor modulators: Greener synthesis and evaluation of novel isocoumarin derivatives as PAAMs of 5-HT2CR 面向下一代5-羟色胺2C受体调节剂：绿色合成与新型异香豆素衍生物作为5-HT2CR PAAMs的评估

Bioorganic Chemistry

IF4.7

2025-11-24

PREAI

Kaushik Sarkar; Deepesh Biswas; B. Yogi Sreenivas; Rapaka Naimisha; Navneet Bung; Sedam Sai Madhuri; Raghavender Medishetti; Arijit Roy; Varadaraj Bhat Giliyaru; Prem N. Yadav; Kiranam Chatti; Srinivas Oruganti; Parimal Misra; Manojit Pal

MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization MolDecor：利用Transformer装饰生物活性分子以优化性质

Journal of Chemical Information and Modeling

IF5.3

2025-09-29

PREAI

Dibyajyoti Das; Sarveswara Rao Vangala; Arijit Roy

A structure-oriented kinetics dataset of enzyme-substrate interactions 一种酶-底物相互作用的结构导向动力学数据集

Scientific Data

IF6.9

2025-08-26

OAAI

Sowmya Ramaswamy Krishnan; Nishtha Pandey; Rajgopal Srinivasan; Arijit Roy

Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature 从专利文献中提取高质量化学反应数据集的大型语言模型的适用性

JOURNAL OF CHEMINFORMATICS

IF5.7

2024-11-26

OAAI

Vangala, Sarveswara Rao; Krishnan, Sowmya Ramaswamy; Bung, Navneet; Nandagopal, Dhandapani; Ramasamy, Gomathi; Kumar, Satyam; Sankaran, Sridharan; Srinivasan, Rajgopal; Roy, Arijit

Reliable method for predicting the binding affinity of RNA-small molecule interactions using machine learning 使用机器学习预测RNA-小分子相互作用结合亲和力的可靠方法

BRIEFINGS IN BIOINFORMATICS

IF7.7

2024-01-22

OAAI

Krishnan, Sowmya R.; Roy, Arijit; Gromiha, M. Michael

pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules pBRICS: 一种可解释的药物样小分子性质预测的新碎片化方法

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-08-16

PREAI

Vangala, Sarveswara Rao; Krishnan, Sowmya Ramaswamy; Bung, Navneet; Srinivasan, Rajgopal; Roy, Arijit

Plasmodium Topoisomerase VIB and Spo11 Constitute Functional Type IIB Topoisomerase in Malaria Parasite: Its Possible Role in Mitochondrial DNA Segregation

MICROBIOLOGY SPECTRUM

IF3.8

2023-06-15

OAAI

Singh, Priyanka; Tabassum, Wahida; Fangaria, Nupur; Dey, Sandeep; Padhi, Siladitya; Bhattacharyya, Mrinal K.; Arun Kumar, Kota; Roy, Arijit; Bhattacharyya, Sunanda

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-03-27

PREAI

Das, Dibyajyoti; Chakrabarty, Broto; Srinivasan, Rajgopal; Roy, Arijit

An interpretable machine learning model for selectivity of small molecules against homologous protein family

FUTURE MEDICINAL CHEMISTRY

IF3.4

2022-09-28

PREAI

Vangala, Sarveswara Rao; Bung, Navneet; Krishnan, Sowmya Ramaswamy; Roy, Arijit

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-05-17

PREAI

Bung, Navneet; Krishnan, Sowmya Ramaswamy; Roy, Arijit

De Novo Structure-Based Drug Design Using Deep Learning

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-11-18

PREAI

Krishnan, Sowmya Ramaswamy; Bung, Navneet; Vangala, Sarveswara Rao; Srinivasan, Rajgopal; Bulusu, Gopalakrishnan; Roy, Arijit

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

IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS

IF3.4

2021-07-01

OAAI

Chakrabarty, Broto; Das, Dibyajyoti; Bulusu, Gopalakrishnan; Roy, Arijit

De novo design of new chemical entities for SARS-CoV-2 using artificial intelligence

FUTURE MEDICINAL CHEMISTRY

IF3.4

2021-02-16

OAAI

Bung, Navneet; Krishnan, Sowmya R.; Bulusu, Gopalakrishnan; Roy, Arijit

Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-01-25

PREAI

Krishnan, Sowmya Ramaswamy; Bung, Navneet; Bulusu, Gopalakrishnan; Roy, Arijit

Elucidation of an essential function of the unique charged domain of Plasmodium topoisomerase III

BIOCHEMICAL JOURNAL

IF4.3

2020-12-24

OAAI

Bansod, Shephali; Bung, Navneet; Singh, Priyanka; Suthram, Niranjan; Choudhury, Himashree; Roy, Arijit; Bulusu, Gopalakrishnan; Bhattacharyya, Sunanda

Elucidation of DNA Repair Function of PfBlm and Potentiation of Artemisinin Action by a Small-Molecule Inhibitor of RecQ Helicase

MSPHERE

IF3.1

2020-12-23

OAAI

Suthram, Niranjan; Padhi, Siladitya; Jha, Payal; Bhattacharyya, Sunanda; Bulusu, Gopalakrishnan; Roy, Arijit; Bhattacharyya, Mrinal Kanti

Human aminolevulinate synthase structure reveals a eukaryotic-specific autoinhibitory loop regulating substrate binding and product release

NATURE COMMUNICATIONS

IF15.7

2020-06-04

OAAI

Bailey, Henry J.; Bezerra, Gustavo A.; Marcero, Jason R.; Padhi, Siladitya; Foster, William R.; Rembeza, Elzbieta; Roy, Arijit; Bishop, David F.; Desnick, Robert J.; Bulusu, Gopalakrishnan; Dailey, Harry A., Jr.; Yue, Wyatt W.

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

MOLECULAR OMICS

IF2.4

2019-01-01

PREAI

Das, Dibyajyoti; Krishnan, Sowmya Ramaswamy; Roy, Arijit; Bulusu, Gopalakrishnan

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

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2018-04-09

OAAI

Bung, Navneet; Roy, Arijit; Chen, Brenden; Das, Dibyajyoti; Pradhan, Meenakshi; Yasuda, Makiko; New, Maria I.; Desnick, Robert J.; Bulusu, Gopalakrishnan

Extracting representative structures from protein conformational ensembles

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2014-07-05

OAAI

Perez, Alberto; Roy, Arijit; Kasavajhala, Koushik; Wagaman, Amy; Dill, Ken A.; MacCallum, Justin L.

研究方向