Works by Kolandaivel, Ponmalai

Results: 18

Tunable Anticancer Activity of Furoylthiourea‐Based RuII–Arene Complexes and Their Mechanism of Action.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 26, p. 7418, doi. 10.1002/chem.202004954

By:

Swaminathan, Srividya;
Haribabu, Jebiti;
Kalagatur, Naveen Kumar;
Nikhil, Maroli;
Balakrishnan, Nithya;
Bhuvanesh, Nattamai S. P.;
Kadirvelu, Krishna;
Kolandaivel, Ponmalai;
Karvembu, Ramasamy

Publication type:

Article

DFT/TD-DFT study on the electronic and spectroscopic properties of hollow cubic and hollow spherical (ZnO)<italic>m</italic> quantum dots interacting with CO, NO2 and SO3 molecules.

Published in:

Applied Physics A: Materials Science & Processing, 2018, v. 124, n. 3, p. 1, doi. 10.1007/s00339-018-1698-y

By:

Gopalakrishnan, Sankarasubramanian;
Shankar, Ramasamy;
Kolandaivel, Ponmalai

Publication type:

Article

Targeted studies on the interaction of nicotine and morin molecules with amyloid β-protein.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 3, p. 1, doi. 10.1007/s00894-014-2109-8

By:

Boopathi, Subramaniam;
Kolandaivel, Ponmalai

Publication type:

Article

Density functional theory investigation of cocaine water complexes.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3411, doi. 10.1007/s00894-013-1866-0

By:

Senthilkumar, Lakshmipathi;
Umadevi, Palanivel;
Nithya, Kumaranathapuram;
Kolandaivel, Ponmalai

Publication type:

Article

Effect of piratoxin II and acutohaemolysin phospholipase (PLA2) proteins on myristic fatty acid-An ONIOM and DFT study.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1853, doi. 10.1007/s00894-010-0681-0

By:

Abiram, Angamuthu;
Kolandaivel, Ponmalai

Publication type:

Article

Structural analysis and the effect of cyclo(HisâPro) dipeptide on neurotoxinsâa dynamics and density functional theory study.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 193, doi. 10.1007/s00894-009-0531-0

By:

Abiram, Angamuthu;
Kolandaivel, Ponmalai

Publication type:

Article

Structural and dynamical studies of all-trans and all-cis cyclo[(1R,3S)-Î³-Acc-Gly]3 peptides.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 12, p. 1147, doi. 10.1007/s00894-008-0357-1

By:

Gopalan Praveena;
Ponmalai Kolandaivel

Publication type:

Article

Structure, stability and water permeation of ([D-Leu-L-Lys-(D-Gln-L-Ala) 3 ]) cyclic peptide nanotube: a molecular dynamics study.

Published in:

Molecular Simulation, 2018, v. 44, n. 3, p. 225, doi. 10.1080/08927022.2017.1366653

By:

Maroli, Nikhil;
Kolandaivel, Ponmalai

Publication type:

Article

Combined theoretical studies on solvation and hydrogen bond interactions in glycine tripeptide.

Published in:

Molecular Simulation, 2014, v. 40, n. 12, p. 942, doi. 10.1080/08927022.2013.828837

By:

Yogeswari, Balasubramaniam;
Kanakaraju, Ramasamy;
Boopathi, Subramaniam;
Kolandaivel, Ponmalai

Publication type:

Article

Does the presence of water clusters induce the binding affinity of CK2 halogen ligands?: A quantum chemical perspective study.

Published in:

International Journal of Quantum Chemistry, 2018, v. 118, n. 16, p. 1, doi. 10.1002/qua.25644

By:

Deepa, Palanisamy;
Vijaya Pandiyan, B.;
Kolandaivel, Ponmalai

Publication type:

Article

Synthesis and Experimental Studies on Supramolecular Synthons of Aminoguanidinium Carboxylates: A Case Study of π‐HoleBonded Carbon Bonding via Theoretical Approaches.

Published in:

ChemistrySelect, 2018, v. 3, n. 35, p. 10032, doi. 10.1002/slct.201801492

By:

Radha, Govindarajan;
Pandiyan, Baskaran Vijaya;
Deepa, Palanisamy;
Govindarajan, Subbiah;
Kolandaivel, Ponmalai;
Nataraj, Devaraj

Publication type:

Article

Hydrogen-bonded complexes of nicotine with simple alcohols.

Published in:

International Journal of Quantum Chemistry, 2012, v. 112, n. 16, p. 2787, doi. 10.1002/qua.23304

By:

Senthilkumar, Lakshmipathi;
Ghanty, Tapan K.;
Kolandaivel, Ponmalai;
Ghosh, Swapan K.

Publication type:

Article

Charge transport and optical properties of discotic liquid crystalline molecules THDDP and substituted THDP.

Published in:

International Journal of Quantum Chemistry, 2012, v. 112, n. 3, p. 713, doi. 10.1002/qua.23063

By:

Saranya, Govindarajan;
Santhanamoorthi, Nachimuthu;
Kolandaivel, Ponmalai;
Senthilkumar, Kittusamy

Publication type:

Article

The potential role of procyanidin as a therapeutic agent against SARS-CoV-2: a text mining, molecular docking and molecular dynamics simulation approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 3, p. 1230, doi. 10.1080/07391102.2020.1823887

By:

Maroli, Nikhil;
Bhasuran, Balu;
Natarajan, Jeyakumar;
Kolandaivel, Ponmalai

Publication type:

Article

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 9, p. 3409, doi. 10.1080/07391102.2020.1758788

By:

Boopathi, Subramanian;
Poma, Adolfo B.;
Kolandaivel, Ponmalai

Publication type:

Article

Comparative study of stability and transport of molecules through cyclic peptide nanotube and aquaporin: a molecular dynamics simulation approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 1, p. 186, doi. 10.1080/07391102.2019.1570341

By:

Maroli, Nikhil;
Kolandaivel, Ponmalai

Publication type:

Article

A theoretical study on the stability of CNT encased cyclic peptide beyond hydrogen bond cut-off.

Published in:

Journal of Biomolecular Structure & Dynamics, 2018, v. 36, n. 5, p. 1108, doi. 10.1080/07391102.2017.1312699

By:

Vidhyasankar, Subramanian;
Dharmaraj, Nallasamy;
Kolandaivel, Ponmalai

Publication type:

Article

Fe2+ binding on amyloid β-peptide promotes aggregation.

Published in:

Proteins, 2016, v. 84, n. 9, p. 1257, doi. 10.1002/prot.25075

By:

Boopathi, Subramaniam;
Kolandaivel, Ponmalai

Publication type:

Article

Works by Kolandaivel, Ponmalai

Tunable Anticancer Activity of Furoylthiourea‐Based Ru<sup>II</sup>–Arene Complexes and Their Mechanism of Action.

DFT/TD-DFT study on the electronic and spectroscopic properties of hollow cubic and hollow spherical (ZnO)<sub><italic>m</italic></sub> quantum dots interacting with CO, NO<sub>2</sub> and SO<sub>3</sub> molecules.

Targeted studies on the interaction of nicotine and morin molecules with amyloid β-protein.

Density functional theory investigation of cocaine water complexes.

Effect of piratoxin II and acutohaemolysin phospholipase (PLA2) proteins on myristic fatty acid-An ONIOM and DFT study.

Structural analysis and the effect of cyclo(HisâPro) dipeptide on neurotoxinsâa dynamics and density functional theory study.

Structural and dynamical studies of all-trans and all-cis cyclo[(1R,3S)-Î³-Acc-Gly]<sub>3</sub> peptides.

Structure, stability and water permeation of ([D-Leu-L-Lys-(D-Gln-L-Ala) 3 ]) cyclic peptide nanotube: a molecular dynamics study.

Combined theoretical studies on solvation and hydrogen bond interactions in glycine tripeptide.

Does the presence of water clusters induce the binding affinity of CK2 halogen ligands?: A quantum chemical perspective study.

Synthesis and Experimental Studies on Supramolecular Synthons of Aminoguanidinium Carboxylates: A Case Study of π‐HoleBonded Carbon Bonding via Theoretical Approaches.

Hydrogen-bonded complexes of nicotine with simple alcohols.

Charge transport and optical properties of discotic liquid crystalline molecules THDDP and substituted THDP.

The potential role of procyanidin as a therapeutic agent against SARS-CoV-2: a text mining, molecular docking and molecular dynamics simulation approach.

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment.

Comparative study of stability and transport of molecules through cyclic peptide nanotube and aquaporin: a molecular dynamics simulation approach.

A theoretical study on the stability of CNT encased cyclic peptide beyond hydrogen bond cut-off.

Fe<sup>2+</sup> binding on amyloid β-peptide promotes aggregation.