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Arijit Roy
Arijit Roy
TCS Research, Hyderabad
Verified email at tcs.com
Title
Cited by
Cited by
Year
Diffusion pathways of oxygen species in the phototoxic fluorescent protein Killer Red
A Roy, P Carpentier, D Bourgeois, M Field
Photochemical & Photobiological Sciences 9 (10), 1342-1350, 2010
742010
De novo design of new chemical entities for SARS-CoV-2 using artificial intelligence
N Bung, SR Krishnan, G Bulusu, A Roy
Future medicinal chemistry 13 (06), 575-585, 2021
692021
Identification of proton-transfer pathways in human carbonic anhydrase II
A Roy, S Taraphder
The Journal of Physical Chemistry B 111 (35), 10563-10576, 2007
612007
Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning
SR Krishnan, N Bung, G Bulusu, A Roy
Journal of Chemical Information and Modeling 61 (2), 621-630, 2021
552021
The nature of transient dark states in a photoactivatable fluorescent protein
A Roy, MJ Field, V Adam, D Bourgeois
Journal of the American Chemical Society 133 (46), 18586-18589, 2011
442011
De Novo Structure-Based Drug Design Using Deep Learning
SR Krishnan, N Bung, SR Vangala, R Srinivasan, G Bulusu, A Roy
Journal of Chemical Information and Modeling 62 (21), 5100-5109, 2021
412021
Network-based analysis of fatal comorbidities of COVID-19 and potential therapeutics
B Chakrabarty, D Das, G Bulusu, A Roy
IEEE/ACM transactions on Computational Biology and Bioinformatics 18 (4 …, 2021
382021
Human hydroxymethylbilane synthase: Molecular dynamics of the pyrrole chain elongation identifies step-specific residues that cause AIP
N Bung, A Roy, B Chen, D Das, M Pradhan, M Yasuda, MI New, ...
Proceedings of the National Academy of Sciences 115 (17), E4071-E4080, 2018
322018
Computing the relative stabilities and the per-residue components in protein conformational changes
A Roy, A Perez, KA Dill, JL MacCallum
Structure 22 (1), 168-175, 2014
312014
Human aminolevulinate synthase structure reveals a eukaryotic-specific autoinhibitory loop regulating substrate binding and product release
HJ Bailey, GA Bezerra, JR Marcero, S Padhi, WR Foster, E Rembeza, ...
Nature communications 11 (1), 2813, 2020
302020
Transition path sampling study of the conformational fluctuation of His-64 in human carbonic anhydrase II
A Roy, S Taraphder
The Journal of Physical Chemistry B 113 (37), 12555-12564, 2009
232009
A theoretical study on the detection of proton transfer pathways in some mutants of human carbonic anhydrase II
A Roy, S Taraphder
The Journal of Physical Chemistry B 112 (43), 13597-13607, 2008
192008
Proton transfer pathways in the mutant His‐64–Ala of human carbonic anhydrase II
A Roy, S Taraphder
Biopolymers: Original Research on Biomolecules 82 (6), 623-630, 2006
182006
TPP riboswitch aptamer: Role of Mg2+ ions, ligand unbinding, and allostery
S Padhi, M Pradhan, N Bung, A Roy, G Bulusu
Journal of Molecular Graphics and Modelling 88, 282-291, 2019
132019
Role of protein motions on proton transfer pathways in human carbonic anhydrase II
A Roy, S Taraphder
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1804 (2), 352-361, 2010
132010
An In Silico Explainable Multiparameter Optimization Approach for De Novo Drug Design against Proteins from the Central Nervous System
N Bung, SR Krishnan, A Roy
Journal of Chemical Information and Modeling 62 (11), 2685-2695, 2022
122022
A network-based approach reveals novel invasion and Maurer's clefts-related proteins in Plasmodium falciparum
D Das, SR Krishnan, A Roy, G Bulusu
Molecular Omics 15 (6), 431-441, 2019
92019
Computational modeling of the catalytic mechanism of hydroxymethylbilane synthase
N Bung, A Roy, UD Priyakumar, G Bulusu
Physical Chemistry Chemical Physics 21 (15), 7932-7940, 2019
72019
Extracting representative structures from protein conformational ensembles
A Perez, A Roy, K Kasavajhala, A Wagaman, KA Dill, JL MacCallum
Proteins: Structure, Function, and Bioinformatics 82 (10), 2671-2680, 2014
72014
Gex2SGen: Designing Drug-like Molecules from Desired Gene Expression Signatures
D Das, B Chakrabarty, R Srinivasan, A Roy
Journal of Chemical Information and Modeling 63 (7), 1882-1893, 2023
62023
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