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Energetics of Preferential Binding of Retinoic Acid-Inducible Gene‑I to Double-Stranded Viral RNAs with 5′ Tri-/Diphosphate over 5′ Monophosphate

ACS omega, 2018-04, Vol.3 (4), p.3786-3795

2018

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Why Does the E1219V Mutation Expand T‑Rich PAM Recognition in Cas9 from Streptococcus pyogenes?

Journal of chemical information and modeling, 2024-04, Vol.64 (8), p.3237-3247

2024

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Divalent-Metal-Ion Selectivity of the CRISPR-Cas System-Associated Cas1 Protein: Insights from Classical Molecular Dynamics Simulations and Electronic Structure Calculations

The journal of physical chemistry. B, 2021-11, Vol.125 (43), p.11943-11954

2021

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Structure-based thermodynamics of ion selectivity (Mg Ca and K Na) in the active site of the eukaryotic lariat group II intron from algae

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (39), p.24192-2422

2022

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Structure-based thermodynamics of ion selectivity (Mg 2+ versus Ca 2+ and K + versus Na + ) in the active site of the eukaryotic lariat group II intron from algae Pylaiella littoralis

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (39), p.24192-24202

2022

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dUMP/F-dUMP Binding to Thymidylate Synthase: Human Versus Mycobacterium tuberculosis

ACS omega, 2020-07, Vol.5 (28), p.17182-17192

2020

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Ambidexterity and Left-Handedness Induced by Geminally Disubstituted γ Amino Acid Residues in Chiral 310 Helices

ACS omega, 2023-10, Vol.8 (39), p.36370-36385

2023

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Principles of tRNAAla Selection by Alanyl–tRNA Synthetase Based on the Critical G3·U70 Base Pair

ACS omega, 2019-09, Vol.4 (13), p.15539-15548

2019

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Insights into the Mechanism of CRISPR/Cas9-Based Genome Editing from Molecular Dynamics Simulations

ACS omega, 2023-01, Vol.8 (2), p.1817-1837

2023

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Effect of Spacer Length Modification of the Cationic Side Chain on the Energetics of Antimicrobial Peptide Binding to Membrane-Mimetic Bilayers

Journal of chemical information and modeling, 2023-09, Vol.63 (18), p.5823-5833

2023

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Mg2+ vs Ca2+ bound active site of group II intron– A MD study

Journal of molecular graphics & modelling, 2020-06, Vol.97, p.107546-107546, Article 107546

2020

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Why double-stranded RNA with 5′-monophosphate is a poor binder to retinoic acid-inducible gene-I with respect to 5′-hydroxyl analogue?

Journal of biomolecular structure & dynamics, 2020-09, Vol.38 (13), p.4048-4055

2020

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Effect of Leu/Val Mutation on the Energetics of Antimicrobial Peptide:Micelle Binding

The journal of physical chemistry. B, 2022-07, Vol.126 (28), p.5262-5273

2022

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Effect of a monovalent salt on the energetics of an antimicrobial-peptide: micelle dissociation

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (38), p.23669-23678

2022

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Principle of K+/Na+ selectivity in the active site of group II intron at various stages of self-splicing pathway

Journal of molecular graphics & modelling, 2018-09, Vol.84, p.1-9

2018

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Mutations in Parkinson’s Disease Associated Protein DJ‑1 Alter the Energetics of DJ‑1 Dimerization

Journal of chemical information and modeling, 2019-04, Vol.59 (4), p.1497-1507

2019

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Bridging Thermodynamics, Antimicrobial Activity, and pH Sensitivity of Cationic Membranolytic Heptapeptides–A Computational and Experimental Study

Journal of chemical information and modeling, 2023-04, Vol.63 (8), p.2393-2408

2023

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Simulating GTP:Mg and GDP:Mg with a simple force field: A structural and thermodynamic analysis

Journal of computational chemistry, 2013-04, Vol.34 (10), p.836-846

2013

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Effect of monovalent salt concentration and peptide secondary structure in peptide-micelle binding

RSC advances, 2021-11, Vol.11 (58), p.36836-36849

2021

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Effect of Differential Geminal Substitution of γ Amino Acid Residues at the (i + 2) Position of αγ Turn Segments on the Conformation of Template β‑Hairpin Peptides

Journal of organic chemistry, 2021-09, Vol.86 (17), p.11310-11323

2021

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E‑Protein Protonation Titration-Induced Single-Particle Chemical Force Spectroscopy for Microscopic Understanding and pI Estimation of Infectious DENV

The journal of physical chemistry. B, 2024-04, Vol.128 (13), p.3133-3144

2024

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Structure-Based Energetics of Stop Codon Recognition by Eukaryotic Release Factor

Journal of chemical information and modeling, 2017-09, Vol.57 (9), p.2321-2328

2017

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Mg 2+ vs Ca 2+ bound active site of group II intron- A MD study

Journal of molecular graphics & modelling, 2020-06, Vol.97, p.107546

2020

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Venetoclax: a promising repurposed drug against SARS-CoV-2 main protease

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (22), p.12088-12099

2022

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Mimicking human Drp1 disease-causing mutations in yeast Dnm1 reveals altered mitochondrial dynamics

Mitochondrion, 2021-07, Vol.59, p.283-295

2021

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Energetics of Preferential Binding of Retinoic Acid-Inducible Gene‑I to Double-Stranded Viral RNAs with 5′ Tri-/Diphosphate over 5′ Monophosphate

Why Does the E1219V Mutation Expand T‑Rich PAM Recognition in Cas9 from Streptococcus pyogenes?

Divalent-Metal-Ion Selectivity of the CRISPR-Cas System-Associated Cas1 Protein: Insights from Classical Molecular Dynamics Simulations and Electronic Structure Calculations

Structure-based thermodynamics of ion selectivity (Mg Ca and K Na) in the active site of the eukaryotic lariat group II intron from algae

Structure-based thermodynamics of ion selectivity (Mg 2+ versus Ca 2+ and K + versus Na + ) in the active site of the eukaryotic lariat group II intron from algae Pylaiella littoralis

dUMP/F-dUMP Binding to Thymidylate Synthase: Human Versus Mycobacterium tuberculosis

Ambidexterity and Left-Handedness Induced by Geminally Disubstituted γ Amino Acid Residues in Chiral 310 Helices

Principles of tRNAAla Selection by Alanyl–tRNA Synthetase Based on the Critical G3·U70 Base Pair

Insights into the Mechanism of CRISPR/Cas9-Based Genome Editing from Molecular Dynamics Simulations

Effect of Spacer Length Modification of the Cationic Side Chain on the Energetics of Antimicrobial Peptide Binding to Membrane-Mimetic Bilayers

Mg2+ vs Ca2+ bound active site of group II intron– A MD study

Why double-stranded RNA with 5′-monophosphate is a poor binder to retinoic acid-inducible gene-I with respect to 5′-hydroxyl analogue?

Effect of Leu/Val Mutation on the Energetics of Antimicrobial Peptide:Micelle Binding

Effect of a monovalent salt on the energetics of an antimicrobial-peptide: micelle dissociation

Principle of K+/Na+ selectivity in the active site of group II intron at various stages of self-splicing pathway

Mutations in Parkinson’s Disease Associated Protein DJ‑1 Alter the Energetics of DJ‑1 Dimerization

Bridging Thermodynamics, Antimicrobial Activity, and pH Sensitivity of Cationic Membranolytic Heptapeptides–A Computational and Experimental Study

Simulating GTP:Mg and GDP:Mg with a simple force field: A structural and thermodynamic analysis

Effect of monovalent salt concentration and peptide secondary structure in peptide-micelle binding

Effect of Differential Geminal Substitution of γ Amino Acid Residues at the (i + 2) Position of αγ Turn Segments on the Conformation of Template β‑Hairpin Peptides

E‑Protein Protonation Titration-Induced Single-Particle Chemical Force Spectroscopy for Microscopic Understanding and pI Estimation of Infectious DENV

Structure-Based Energetics of Stop Codon Recognition by Eukaryotic Release Factor

Mg 2+ vs Ca 2+ bound active site of group II intron- A MD study

Venetoclax: a promising repurposed drug against SARS-CoV-2 main protease

Mimicking human Drp1 disease-causing mutations in yeast Dnm1 reveals altered mitochondrial dynamics

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