Indrajit Deb

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	Všechny	Od 2019
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Ansuman LahiriDepartment of Biophysics, Molecular Biology & Bioinformatics, University of CalcuttaE-mailová adresa ověřena na: caluniv.ac.in
Aaron Terrence FrankArrakis TherapeuticsE-mailová adresa ověřena na: arrakistx.com
Nils G WalterUniversity of Michigan, Ann ArborE-mailová adresa ověřena na: umich.edu
Adrien ChauvierUniversity of MichiganE-mailová adresa ověřena na: umich.edu
Z. GdaniecInstitute of Bioorganic Chemistry Polish academy of SciencesE-mailová adresa ověřena na: ibch.poznan.pl
Łukasz PopendaNanoBioMedical Centre, Adam Mickiewicz UniversityE-mailová adresa ověřena na: amu.edu.pl
Sangwook WuPukyong National UniversityE-mailová adresa ověřena na: pukyong.ac.kr
Bijoyita RoyModerna TherapeuticsE-mailová adresa ověřena na: modernatx.com
Sudhakar PamidighantamGeorgia Institute of TechnologyE-mailová adresa ověřena na: gatech.edu
Kristin KoutmouSeyhan N. Ege Assistant Professor Chemistry, University of MichiganE-mailová adresa ověřena na: umich.edu
Eroma AbeysingheIndiana UniversityE-mailová adresa ověřena na: iu.edu
Dimuthu Upeksha WannipurageResearch Software Engineer at Indiana UniversityE-mailová adresa ověřena na: iu.edu
Suresh MarruDirector, Center for AI in Science and Engineering (ARTISAN), IDEaS, Georgia Institute of TechnologyE-mailová adresa ověřena na: gatech.edu
Marlon PierceIndiana UniversityE-mailová adresa ověřena na: iu.edu
Samik BosePostdoctoral Research Associate at Michigan State UniversityE-mailová adresa ověřena na: msu.edu
Samuel D. LotzE-mailová adresa ověřena na: salotz.info
Mandar KulkarniPostdoctoral fellow, CMPS Kemicentrum, Lund UniversityE-mailová adresa ověřena na: bpc.lu.se
Alex DicksonAssociate Professor, Department of Biochemistry & Molecular Biology, Michigan State UniversityE-mailová adresa ověřena na: msu.edu
Lennart Nilssonkarolinska institutet

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Indrajit Deb

Senior Computational Chemist at Drug Discovery Unit, University of Dundee, Scotland

E-mailová adresa ověřena na: dundee.ac.uk

Computational Biophysics Computational Structural Biology Computer Aided Drug Design


Název Seřadit podle citací Seřadit podle roku Seřadit podle názvu	Citace Citace	Rok
Computational and NMR studies of RNA duplexes with an internal pseudouridine-adenosine base pair I Deb, Ł Popenda, J Sarzyńska, M Małgowska, A Lahiri, Z Gdaniec, ... Scientific Reports 9 (1), 16278, 2019	34	2019
Accelerating rare dissociative processes in biomolecules using selectively scaled MD simulations I Deb, AT Frank Journal of chemical theory and computation 15 (11), 5817-5828, 2019	32	2019
Conformational preferences of modified uridines: comparison of AMBER derived force fields I Deb, J Sarzynska, L Nilsson, A Lahiri Journal of chemical information and modeling 54 (4), 1129-1142, 2014	22	2014
Inosine and its methyl derivatives: Occurrence, biogenesis, and function in RNA N Dutta, I Deb, J Sarzynska, A Lahiri Progress in Biophysics and Molecular Biology 169, 21-52, 2022	14	2022
Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand A Chauvier, JC Porta, I Deb, E Ellinger, K Meze, AT Frank, MD Ohi, ... Nature Structural & Molecular Biology 30 (7), 902-913, 2023	13	2023
Reparameterizations of the χ Torsion and Lennard-Jones σ Parameters Improve the Conformational Characteristics of Modified Uridines I Deb, R Pal, J Sarzynska, A Lahiri Journal of Computational Chemistry, 2016	13	2016
LNA-induced dynamic stability in a therapeutic aptamer: Insights from molecular dynamics simulations R Pal, I Deb, J Sarzynska, A Lahiri Journal of Biomolecular Structure and Dynamics 41 (6), 2221-2230, 2023	8	2023
Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors MJ Akhunzada, HJ Yoon, I Deb, A Braka, S Wu Scientific Reports 12 (1), 15972, 2022	6	2022
Data-informed reparameterization of modified RNA and the effect of explicit water models: application to pseudouridine and derivatives N Dutta, I Deb, J Sarzynska, A Lahiri Journal of computer-aided molecular design 36 (3), 205-224, 2022	5	2022
Quantum mechanics helps uncover atypical recognition features in the flavin mononucleotide riboswitch I Deb, H Wong, C Tacubao, AT Frank The Journal of Physical Chemistry B 125 (30), 8342-8350, 2021	5	2021
Rapid communication capturing the destabilizing effect of dihydrouridine through molecular simulations I Deb, J Sarzynska, L Nilsson, A Lahiri Biopolymers 101 (10), 985-991, 2014	5	2014
Structural and thermodynamic consequences of base pairs containing pseudouridine and N1-methylpseudouridine in RNA duplexes N Dutta, I Deb, J Sarzynska, A Lahiri bioRxiv, 2023.03. 19.533340, 2023	4	2023
N1-Methylpseudouridine and pseudouridine modifications modulate mRNA decoding during translation JG Monroe, L Mitchell, I Deb, B Roy, AT Frank, K Koutmou bioRxiv, 2022.06. 13.495988, 2022	3	2022
Experiences with managing data parallel computational workflows for High-throughput Fragment Molecular Orbital (FMO) Calculations D Wannipurage, I Deb, E Abeysinghe, S Pamidighantam, S Marru, ... arXiv preprint arXiv:2201.12237, 2022	3	2022
Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand N Walter, A Chauvier, J Porta, I Deb, E Ellinger, A Frank, M Ohi	1	2021
Structural Stability of the Anticodon Stem Loop Domains of the Unmodified Yeast and Escherichia coli tRNA^Phe: Differing Views from Different Force Fields I Deb, J Sarzynska, L Nilsson, A Lahiri ACS Omega 4 (2), 3029-3044, 2019	1	2019
Using Dynamic Interaction Fingerprints to Derive Baseline Machine Learning Model for the Prediction of Protein-Ligand Dissociation Rate Constant MJ Akhunzada, HJ Yoon, A Braka, I Deb, S Wu		2024
Quantum chemical and molecular modeling studies of twenty therapeutic nucleosides and nucleoside analogues N Dutta, I Deb, J Sarzynska, A Lahiri		2024
Predicting nearest neighbor free energies of modified RNA with LIE: results for pseudouridine and N 1-methylpseudouridine within RNA duplexes N Dutta, J Sarzynska, I Deb, A Lahiri Physical Chemistry Chemical Physics 26 (2), 992-999, 2024		2024
How robust is the ligand binding transition state? S Bose, SD Lotz, I Deb, M Shuck, KSS Lee, A Dickson Journal of the American Chemical Society 145 (46), 25318-25331, 2023		2023

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