Soumya Lipsa Rath

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NABANITA MANDALPost Doctoral Fellow, Lund UniversityVerified email at compchem.lu.se
Dr. Aditya Kumar PadhiSchool of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi, IndiaVerified email at iitbhu.ac.in
sanjib senapatiDepartment of Biotechnology, IIT MadrasVerified email at iitm.ac.in
Timir TripathiProfessorVerified email at nehu.ac.in
Debakanta TripathyAssistant Professor, VIT-AP University, Amaravati, Andhra Pradesh-522237, IndiaVerified email at vitap.ac.in
Kishant KumarAssistant Professor, Indian Institute of Technology RoparVerified email at iitrpr.ac.in
Dillip Kumar ChandProfessor of Chemistry, IIT MadrasVerified email at iitm.ac.in
Amlan Kumar PalAssistant Professor, Indian Institute of Technology JammuVerified email at iitjammu.ac.in
Garry HananProfessor of Chemistry, Université de MontréalVerified email at umontreal.ca
Wataru ShinodaOkayama UniversityVerified email at okayama-u.ac.jp
Madhusmita TripathyComputational Physical Chemistry, Technical University of DarmstadtVerified email at cpc.tu-darmstadt.de
Dr. Binod Bihari PandaIndira Gandhi Institute of Technology, SarangVerified email at igitsarang.ac.in
Sandeep KaushikStaff Scientist, University of MinhoVerified email at dep.uminho.pt
Sudhakar GantaPost DocVerified email at newcastle.ac.uk
Dr. Devjani ChakrabortyThe M S University of BarodaVerified email at msubaroda.ac.in

Soumya Lipsa Rath

National Institute of Technology, Warangal (NITW)

Verified email at nitw.ac.in - Homepage

Computational Biophysics CDKs Intrinsically Disordered Proteins Viruses Molecular Dynamics


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Investigation of the effect of temperature on the structure of SARS-Cov-2 Spike Protein by Molecular Dynamics Simulations SL Rath, K Kumar Frontiers of Molecular Biosciences 7 (583523), 297, 2020	80	2020
Accelerating COVID-19 research using molecular dynamics simulation AK Padhi, SL Rath, T Tripathi The Journal of Physical Chemistry B 125 (32), 9078-9091, 2021	64	2021
Scanning the RBD-ACE2 molecular interactions in Omicron variant SL Rath, AK Padhi, N Mandal Biochemical and Biophysical Research Communications 592, 18-23, 2022	59	2022
Molecular insights into the differential dynamics of SARS-CoV-2 variants of concern N Mandal, AK Padhi, SL Rath Journal of Molecular Graphics and Modelling 114, 108194, 2022	30	2022
Computational drug re-purposing targeting the spike glycoprotein of SARS-CoV-2 as an effective strategy to neutralize COVID-19 HG Toor, DI Banerjee, SL Rath, SA Darji European Journal of Pharmacology 890, 173720, 2021	28	2021
Mechanism of p27 Unfolding for CDK2 Reactivation SL Rath, S Senapati Scientific Reports 6, 1, 2016	20	2016
Why are the truncated cyclin Es more effective CDK2 activators than the full-length isoforms? SL Rath, S Senapati Biochemistry 53 (28), 4612-4624, 2014	19	2014
Molecular basis of differential selectivity of cyclobutyl-substituted imidazole inhibitors against CDKs: insights for rational drug design SL Rath, S Senapati PloS one 8 (9), e73836, 2013	14	2013
Identification of factors promoting HBV capsid self-assembly by assembly-promoting antivirals SL Rath, H Liu, S Okazaki, W Shinoda Journal of Chemical Information and Modeling 58 (2), 328-337, 2018	12	2018
How does temperature affect the dynamics of SARS-CoV-2 M proteins? Insights from molecular dynamics simulations SL Rath, M Tripathy, N Mandal The Journal of Membrane Biology 255 (2), 341-356, 2022	7	2022
MoS 2 nanosheets effectively bind to the receptor binding domain of the SARS-CoV-2 spike protein and destabilize the spike–human ACE2 receptor interactions D Bisht, SL Rath, S Roy, A Jaiswal Soft Matter 18 (47), 8961-8973, 2022	7	2022
Computational studies reveal Fluorine based quinolines to be potent inhibitors for proteins involved in SARS-CoV-2 assembly N Sarkar, A Thakur, J Ghadge, SL Rath Journal of Fluorine Chemistry 250, 109865, 2021	5	2021
Ni (ii)-polypyridyl complexes as potential DNA binders P Sahni, R Gupta, D Tripathy, SL Rath, AK Pal New Journal of Chemistry 47 (31), 14717-14725, 2023	3	2023
An Unsupervised Clustering Algorithm to Cluster the New SARS-CoV-2 Virus Mutation SL Rath, C Sinha, SLNP Kasturi, S Mohapatra, K Jain Innovations in Computer Science and Engineering (Proceedings of the Ninth …, 2022	3	2022
Synthesis, characterization and molecular docking study of Nitro (4′-(2-pyridyl)-2, 2′: 6′, 2 ″-terpyridyl) Palladium (II) nitrate D Tripathy, AK Pal, SL Rath, GS Hanan, BB Panda, DK Chand Inorganic Chemistry Communications 126, 108494, 2021	3	2021
Identifying Antibiotic-Resistant Mutants in β-Lactamases for Class A and Class B Using Unsupervised Machine Learning SL Rath, S Mohapatra, V Gayathri Engineering Proceedings 59 (1), 146, 2024	2	2024
Platinum (II) based macrocyclic host for recognition of aromatic hydrocarbons D Tripathy, SL Rath, NB Debata, AK Pal, DK Chand, GS Hanan Journal of Molecular Structure 1292, 136104, 2023	2	2023
Delineating the Structure–Dynamics–Binding Differences among BA. 1, BA. 4/5, and BF. 7 SARS-CoV-2 Variants through Atomistic Simulations: Correlation with Structural and … A Joshi, S Maurya, A Mahale, SL Rath, T Tripathi, AK Padhi ACS omega 8 (41), 37852-37863, 2023	2	2023
Hierarchical self-assembly of self-assembled Pd (II) complexes: Synthesis, structural characterization, crystal packing evaluation and docking studies D Tripathy, S Ganta, SL Rath, DK Chand Journal of Molecular Structure 1259, 132767, 2022	2	2022
Protein structure visualization S Kaushik, SL Rath Academic Press, 2019	2	2019

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