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Alok Jain
Alok Jain
BIT Mesra, NIPER-Ahmedabad, University of Konstanz Germany, MPIP Germany, IIT Kanpur
Verified email at bitmesra.ac.in - Homepage
Title
Cited by
Cited by
Year
Lone pair··· π interactions between water oxygens and aromatic residues: Quantum chemical studies based on high‐resolution protein structures and model compounds
A Jain, V Ramanathan, R Sankararamakrishnan
Protein Science 18 (3), 595-605, 2009
1402009
Close Contacts between Carbonyl Oxygen Atoms and Aromatic Centers in Protein Structures: π⊙⊙⊙ π or Lone-Pair⊙⊙⊙ π Interactions?
A Jain, CS Purohit, S Verma, R Sankararamakrishnan
The Journal of Physical Chemistry B 111 (30), 8680-8683, 2007
1122007
Exosomal miRNA in Chemoresistance, Immune Evasion, Metastasis and Progression of Cancer
KK Bhagyashri Kulkarni, Prathibha Kirave, Piyush Gondaliya, Kavya Jash, Alok ...
Drug Discovery Today, 2019
962019
Exosome mediated miR-155 delivery confers cisplatin chemoresistance in oral cancer cells via epithelial-mesenchymal transition
P Kirave, P Gondaliya, B Kulkarni, R Rawal, R Garg, A Jain, K Kalia
Oncotarget 11 (13), 1157, 2020
662020
Exosome-mediated delivery of miR-30a sensitize cisplatin-resistant variant of oral squamous carcinoma cells via modulating Beclin1 and Bcl2
B Kulkarni, P Gondaliya, P Kirave, R Rawal, A Jain, R Garg, K Kalia
Oncotarget 11 (20), 1832, 2020
572020
Design, computational studies, synthesis and biological evaluation of thiazole-based molecules as anticancer agents
S Patel, R Patle, P Parameswaran, A Jain, A Shard
European Journal of Pharmaceutical Sciences 134, 20-30, 2019
502019
Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by Grazoprevir
SK Behera, N Vhora, D Contractor, A Shard, D Kumar, K Kalia, A Jain
Scientific reports 11 (1), 7307, 2021
372021
Paradigm shift of “classical” HDAC inhibitors to “hybrid” HDAC inhibitors in therapeutic interventions
GN Vaidya, P Rana, A Venkatesh, DR Chatterjee, D Contractor, ...
European journal of medicinal chemistry 209, 112844, 2021
332021
Ultrashort Peptides—A Glimpse into the Structural Modifications and Their Applications as Biomaterials
R Das, B Gayakvad, SD Shinde, J Rani, A Jain, B Sahu
ACS Applied Bio Materials 3 (9), 5474-5499, 2020
322020
Multivalent contacts of the Hsp70 Ssb contribute to its architecture on ribosomes and nascent chain interaction
MA Hanebuth, R Kityk, SJ Fries, A Jain, A Kriel, V Albanese, T Frickey, ...
Nature communications 7 (1), 13695, 2016
312016
Novel imidazopyrimidines-based molecules induce tetramerization of tumor pyruvate kinase M2 and exhibit potent antiproliferative profile
S Patel, C Globisch, P Pulugu, P Kumar, A Jain, A Shard
European Journal of Pharmaceutical Sciences, 106112, 2022
212022
Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19)
G Rakshit, P Dagur, S Satpathy, A Patra, A Jain, M Ghosh
Journal of Biomolecular Structure and Dynamics, 1-13, 2021
202021
Molecular Dynamics Simulations of Peptides at the Air–Water Interface: Influencing Factors on Peptide-Templated Mineralization
A Jain, J Mara, P Christine
Langmuir 30 (51), 15486–15495, 2014
202014
In silico design of multi-epitope-based peptide vaccine against SARS-CoV-2 using its spike protein
D Mitra, J Pandey, A Jain, S Swaroop
Journal of Biomolecular Structure and Dynamics 40 (11), 5189-5202, 2021
152021
EncoderMap(II): Visualizing Important Molecular Motions with Improved Generation of Protein Conformations
T Lemke, A Berg, A Jain, P Christine
Journal of Chemical Information and Modeling 59 (11), 4550-4560, 2019
152019
Coarse-grained simulations of peptide nanoparticle formation: role of local structure and nonbonded interactions
A Jain, C Globisch, S Verma, C Peter
Journal of chemical theory and computation 15 (2), 1453-1462, 2019
122019
Discovery of boronic acid-based potent activators of tumor pyruvate kinase M2 and development of gastroretentive nanoformulation for oral dosing
R Patle, S Shinde, S Patel, R Maheshwari, H Jariyal, A Srivastava, ...
Bioorganic & medicinal chemistry letters 42, 128062, 2021
92021
Enforcing solution phase nanoscopic aggregation in a palindromic tripeptide
KK Prasad, CS Purohit, A Jain, R Sankararamakrishnan, S Verma
Chemical communications, 2564-2566, 2005
92005
Combining Experimental and Simulation Techniques to Understand Morphology Control in Pentapeptide Nanostructures
NK Mishra, A Jain, C Peter, S Verma
The Journal of Physical Chemistry B 121 (34), 8155-8161, 2017
82017
Dynamics of noncovalent interactions in all-α and all-β class proteins: implications for the stability of amyloid aggregates
A Jain, R Sankararamakrishnan
Journal of chemical information and modeling 51 (12), 3208-3216, 2011
82011
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