Ganguly B - Search Results

1

Probing the bent bonds in cyclopropane systems for gas storage and separation process: A computational study.

Wakchaure PD, Ganguly B. Wakchaure PD, et al. Among authors: ganguly b. J Comput Chem. 2020 May 15;41(13):1271-1284. doi: 10.1002/jcc.26174. Epub 2020 Feb 17. J Comput Chem. 2020. PMID: 32064637

2

Probing the influence of solvent effects on the conformational behavior of 1,3-diazacyclohexane systems.

Singh A, Ganguly B. Singh A, et al. Among authors: ganguly b. J Phys Chem A. 2007 Oct 4;111(39):9884-9. doi: 10.1021/jp074146x. Epub 2007 Sep 12. J Phys Chem A. 2007. PMID: 17850052

3

What is the minimum number of water molecules required to dissolve a potassium chloride molecule?

Sen A, Ganguly B. Sen A, et al. Among authors: ganguly b. J Comput Chem. 2010 Dec;31(16):2948-54. doi: 10.1002/jcc.21590. J Comput Chem. 2010. PMID: 20564334

4

Probing the influence of anomeric effects on the lithium ion affinity in 1,3-diaza systems: a computational study.

Kesharwani MK, Thiel W, Ganguly B. Kesharwani MK, et al. Among authors: ganguly b. J Phys Chem A. 2010 Oct 7;114(39):10684-93. doi: 10.1021/jp1043656. J Phys Chem A. 2010. PMID: 20831197

5

Probing the structural and electronic effects to stabilize nonplanar forms of thioamide derivatives: a computational study.

Kesharwani MK, Ganguly B. Kesharwani MK, et al. Among authors: ganguly b. J Comput Chem. 2011 Jul 30;32(10):2170-6. doi: 10.1002/jcc.21800. Epub 2011 Apr 11. J Comput Chem. 2011. PMID: 21484839

6

Probing the selective separation of potassium ion from sodium ion with cyclopentadienyl anion as receptor: a computational study.

Desai ML, Si MK, Lo R, Ganguly B. Desai ML, et al. Among authors: ganguly b. J Mol Model. 2015 Aug;21(8):218. doi: 10.1007/s00894-015-2767-1. Epub 2015 Aug 1. J Mol Model. 2015. PMID: 26232185

7

Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study.

Wakchaure PD, Jana K, Ganguly B. Wakchaure PD, et al. Among authors: ganguly b. J Biomol Struct Dyn. 2020 Aug;38(13):3856-3866. doi: 10.1080/07391102.2019.1665587. Epub 2019 Sep 15. J Biomol Struct Dyn. 2020. PMID: 31498025

8

Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq₁ riboswitch.

Jana K, Wakchaure PD, Ghosh S, Bandyopadhyay T, Ganguly B. Jana K, et al. Among authors: ganguly b. J Biomol Struct Dyn. 2020 Sep;38(15):4635-4643. doi: 10.1080/07391102.2019.1682675. Epub 2019 Oct 30. J Biomol Struct Dyn. 2020. PMID: 31630627

9

Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study.

Wakchaure PD, Ghosh S, Ganguly B. Wakchaure PD, et al. Among authors: ganguly b. J Phys Chem B. 2020 Nov 25;124(47):10641-10652. doi: 10.1021/acs.jpcb.0c06747. Epub 2020 Nov 15. J Phys Chem B. 2020. PMID: 33190493

10

Computational Study on Metal-Ion-Decorated Prismane Molecules for Selective Adsorption of CO₂ from Flue Gas Mixtures.

Wakchaure PD, Ganguly B. Wakchaure PD, et al. Among authors: ganguly b. ACS Omega. 2020 Nov 26;5(48):31146-31155. doi: 10.1021/acsomega.0c04299. eCollection 2020 Dec 8. ACS Omega. 2020. PMID: 33324823 Free PMC article.

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