Bishwajit Ganguly

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 21

Top Topics

Molecular Dynamics

Room Temperature

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

Organic letters

Journal of biomolecular structure & dynamics

This page only lists publications with an associated author ORCID identifier.

Publications

Sana Jindani, Bishwajit Ganguly
Computational Evidence of the Incipient Oxocarbenium Ion as a "Hidden Intermediate" During the Cyclization of Hydroxyenol Ether into Spiroketal Under Mild Acidic Condition. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Surjit Bhai, Bishwajit Ganguly
Exploiting the optical sensing of fluorophore-tagged DNA nucleobases on hexagonal BN and Al-doped BN sheets: a computational study. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Padmaja D Wakchaure, Bishwajit Ganguly
Deciphering the mechanism of action of 5FDQD and the design of new neutral analogues for the FMN riboswitch: a well-tempered metadynamics simulation study. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Anusuya Saha, Bishwajit Ganguly
DFT exploration to tune the silyl group as anchoring unit on the performance of dye-sensitized solar cells: an approach to suppress dye leaching from semiconductor surface. Journal of molecular modeling 28 (5) (2022)
Kalyanashis Jana, Padmaja D Wakchaure, Nazar Hussain, Debaraj Mukherjee, Bishwajit Ganguly
The mechanism of conversion of substituted glycals to chiral acenes via Diels-Alder reaction: a computational study. Organic & biomolecular chemistry 19 (28) (2022)
Padmaja D Wakchaure, Bishwajit Ganguly
Unraveling the Role of π-Stacking Interactions in Ligand Binding to the Thiamine Pyrophosphate Riboswitch with High-level Quantum Chemical Calculations and Docking Study. The journal of physical chemistry. B 126 (5) (2022)
Anusuya Saha, Bishwajit Ganguly
A DFT study to probe homo-conjugated norbornylogous bridged spacers in dye-sensitized solar cells: an approach to suppressing agglomeration of dye molecules. RSC advances 10 (26) (2020)
Padmaja D Wakchaure, Shibaji Ghosh, Bishwajit Ganguly
Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study. The journal of physical chemistry. B 124 (47) (2020)
Surjit Bhai, Bishwajit Ganguly
Role of the backbone of nucleic acids in the stability of Hg 2+ -mediated canonical base pairs and thymine-thymine mispair: a DFT study. RSC advances 10 (67) (2020)
Padmaja D Wakchaure, Bishwajit Ganguly
Probing the bent bonds in cyclopropane systems for gas storage and separation process: A computational study. Journal of computational chemistry 41 (13) (2020)
Deepa Rawat, Chitrakar Ravi, Abhisek Joshi, Eringathodi Suresh, Kalyanashis Jana, Bishwajit Ganguly, Subbarayappa Adimurthy
Indium-Catalyzed Denitrogenative Transannulation of Pyridotriazoles: Synthesis of Pyrido[1,2- a]indoles. Organic letters 21 (7) (2019)
Padmaja D Wakchaure, Kalyanashis Jana, Bishwajit Ganguly
Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study. Journal of biomolecular structure & dynamics 38 (13) (2019)
Kalyanashis Jana, Padmaja D Wakchaure, Shibaji Ghosh, Tusar Bandyopadhyay, Bishwajit Ganguly
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch. Journal of biomolecular structure & dynamics 38 (15) (2019)
Shibaji Ghosh, Kalyanashis Jana, Bishwajit Ganguly
Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study. Physical chemistry chemical physics : PCCP 21 (25) (2019)
Ratish R Nair, Snehasish Debnath, Shruti Das, Padmaja Wakchaure, Bishwajit Ganguly, Pabitra B Chatterjee
A Highly Selective Turn-On Biosensor for Measuring Spermine/Spermidine in Human Urine and Blood. ACS applied bio materials 2 (6) (2019)
Nazar Hussain, Kalyanashis Jana, Bishwajit Ganguly, Debaraj Mukherjee
Transformation of Substituted Glycals to Chiral Fused Aromatic Cores via Annulative π-Extension Reactions with Arynes. Organic letters 20 (6) (2018)
Shibaji Ghosh, Kalyanashis Jana, Bishwajit Ganguly
Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies. Journal of computer-aided molecular design 32 (7) (2018)
Kalyanashis Jana, Tusar Bandyopadhyay, Bishwajit Ganguly
Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT Study. The journal of physical chemistry. B 122 (22) (2018)
Shibaji Ghosh, Nellore Bhanu Chandar, Kalyanashis Jana, Bishwajit Ganguly
Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies. Journal of computer-aided molecular design 31 (8) (2017)
Anupam Majumdar, Subhendu Mondal, Constantin G Daniliuc, Debashis Sahu, Bishwajit Ganguly, Sourav Ghosh, Utpal Ghosh, Kumaresh Ghosh
α-Amino Acid Derived Benzimidazole-Linked Rhodamines: A Case of Substitution Effect at the Amino Acid Site toward Spiro Ring Opening for Selective Sensing of Al3+ Ions. Inorganic chemistry 56 (15) (2017)
Kalyanashis Jana, Tusar Bandyopadhyay, Bishwajit Ganguly
Revealing the Mechanistic Pathway of Acid Activation of Proton Pump Inhibitors To Inhibit the Gastric Proton Pump: A DFT Study. The journal of physical chemistry. B 120 (51) (2016)