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Reprogramming of glucose metabolism via PFKFB4 is critical in FGF16-driven invasion of breast cancer cells

Bioscience reports, 2023-08, Vol.43 (8), p.1

2023

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Dynamic and Static Water Molecules Complement the TN16 Conformational Heterogeneity inside the Tubulin Cavity

Biochemistry (Easton), 2016-01, Vol.55 (2), p.335-347

2016

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An insight into SARS-CoV-2 structure, pathogenesis, target hunting for drug development and vaccine initiatives

RSC medicinal chemistry, 2022-06, Vol.13 (6), p.647-675

2022

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An evolutionary analysis identifies a conserved pentapeptide stretch containing the two essential lysine residues for rice L-myo-inositol 1-phosphate synthase catalytic activity

PloS one, 2017-09, Vol.12 (9), p.e0185351-e0185351

2017

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The susceptibility of disulfide bonds towards radiation damage may be explained by S⋯O interactions

IUCrJ, 2020-09, Vol.7 (5), p.825-834

2020

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New insight to structure-function relationship of GalNAc mediated primary interaction between insecticidal Cry1Ac toxin and HaALP receptor of Helicoverpa armigera

PloS one, 2013-10, Vol.8 (10), p.e78249

2013

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Dynamics of Bcl-xL in water and membrane: molecular simulations

PloS one, 2013-10, Vol.8 (10), p.e76837-e76837

2013

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Adaptive Workflows of Machine Learning Illuminate the Sequential Operation Mechanism of the TAK1′s Allosteric Network

Biochemistry (Easton), 2024-06, Vol.63 (11), p.1474-1492

2024

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Cholesterol Modulates Membrane Properties and the Interaction of gp41 Fusion Peptide To Promote Membrane Fusion

The journal of physical chemistry. B, 2019-08, Vol.123 (33), p.7113-7122

2019

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Shifting Polar Residues Across Primary Sequence Frames of Transmembrane Domains Calibrates Membrane Permeation Thermodynamics

Biochemistry (Easton), 2020-11, Vol.59 (45), p.4353-4366

2020

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Conformational States of E7010 Is Complemented by Microclusters of Water Inside the α,β-Tubulin Core

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.2274-2286

2019

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Allosteric Boost by TAB1 on the TAK1 Kinase Favorably Sculpts the Thermodynamic Landscape of Activation

Journal of chemical information and modeling, 2023-01, Vol.63 (1), p.224-239

2023

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Remote communication between unstructured and structured regions of Bcl-2 tunes its ligand binding capacity: Mechanistic insights

Computational biology and chemistry, 2022-10, Vol.100, p.107736-107736, Article 107736

2022

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The long unstructured region of Bcl‐xl modulates its structural dynamics

Proteins, structure, function, and bioinformatics, 2017-08, Vol.85 (8), p.1567-1579

2017

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Ligand Binding Swaps between Soft Internal Modes of α,β-Tubulin and Alters Its Accessible Conformational Space

The journal of physical chemistry. B, 2017-01, Vol.121 (1), p.118-128

2017

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BIM Binding Remotely Regulates BAX Activation: Insights from the Free Energy Landscapes

Journal of chemical information and modeling, 2018-02, Vol.58 (2), p.370-382

2018

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Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19

Journal of molecular modeling, 2021-05, Vol.27 (5), p.128, Article 128

2021

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Dissecting the thermodynamic contributions of the charged residues in the membrane anchoring of Bcl-xl C-terminal domain

Chemistry and physics of lipids, 2019-01, Vol.218, p.112-124

2019

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Flexibility enables to discriminate between ligands: Lessons from structural ensembles of Bcl-xl and Mcl-1

Computational biology and chemistry, 2018-12, Vol.77, p.17-27

2018

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In silico analyses of Wnt1 nsSNPs reveal structurally destabilizing variants, altered interactions with Frizzled receptors and its deregulation in tumorigenesis

Scientific reports, 2022-09, Vol.12 (1), p.14934-14934, Article 14934

2022

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HKT1;5 Transporter Gene Expression and Association of Amino Acid Substitutions With Salt Tolerance Across Rice Genotypes

Frontiers in plant science, 2019-11, Vol.10, p.1420-1420

2019

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Discrimination of Ligands with Different Flexibilities Resulting from the Plasticity of the Binding Site in Tubulin

Biochemistry (Easton), 2012-09, Vol.51 (36), p.7138-7148

2012

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Adaptability in protein structures: structural dynamics and implications in ligand design

Journal of biomolecular structure & dynamics, 2015-02, Vol.33 (2), p.298-321

2015

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Variation in the ribosome interacting loop of the Sec61α from Giardia lamblia

Biology direct, 2015-09, Vol.10 (1), p.56-56, Article 56

2015

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Why is F19Ap53 unable to bind MDM2? Simulations suggest crack propagation modulates binding

Cell cycle (Georgetown, Tex.), 2012-06, Vol.11 (12), p.2239-2247

2012

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Reprogramming of glucose metabolism via PFKFB4 is critical in FGF16-driven invasion of breast cancer cells

Dynamic and Static Water Molecules Complement the TN16 Conformational Heterogeneity inside the Tubulin Cavity

An insight into SARS-CoV-2 structure, pathogenesis, target hunting for drug development and vaccine initiatives

An evolutionary analysis identifies a conserved pentapeptide stretch containing the two essential lysine residues for rice L-myo-inositol 1-phosphate synthase catalytic activity

The susceptibility of disulfide bonds towards radiation damage may be explained by S⋯O interactions

New insight to structure-function relationship of GalNAc mediated primary interaction between insecticidal Cry1Ac toxin and HaALP receptor of Helicoverpa armigera

Dynamics of Bcl-xL in water and membrane: molecular simulations

Adaptive Workflows of Machine Learning Illuminate the Sequential Operation Mechanism of the TAK1′s Allosteric Network

Cholesterol Modulates Membrane Properties and the Interaction of gp41 Fusion Peptide To Promote Membrane Fusion

Shifting Polar Residues Across Primary Sequence Frames of Transmembrane Domains Calibrates Membrane Permeation Thermodynamics

Conformational States of E7010 Is Complemented by Microclusters of Water Inside the α,β-Tubulin Core

Allosteric Boost by TAB1 on the TAK1 Kinase Favorably Sculpts the Thermodynamic Landscape of Activation

Remote communication between unstructured and structured regions of Bcl-2 tunes its ligand binding capacity: Mechanistic insights

The long unstructured region of Bcl‐xl modulates its structural dynamics

Ligand Binding Swaps between Soft Internal Modes of α,β-Tubulin and Alters Its Accessible Conformational Space

BIM Binding Remotely Regulates BAX Activation: Insights from the Free Energy Landscapes

Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19

Dissecting the thermodynamic contributions of the charged residues in the membrane anchoring of Bcl-xl C-terminal domain

Flexibility enables to discriminate between ligands: Lessons from structural ensembles of Bcl-xl and Mcl-1

In silico analyses of Wnt1 nsSNPs reveal structurally destabilizing variants, altered interactions with Frizzled receptors and its deregulation in tumorigenesis

HKT1;5 Transporter Gene Expression and Association of Amino Acid Substitutions With Salt Tolerance Across Rice Genotypes

Discrimination of Ligands with Different Flexibilities Resulting from the Plasticity of the Binding Site in Tubulin

Adaptability in protein structures: structural dynamics and implications in ligand design

Variation in the ribosome interacting loop of the Sec61α from Giardia lamblia

Why is F19Ap53 unable to bind MDM2? Simulations suggest crack propagation modulates binding

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