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Discovery of novel inhibitors for Pseudomonas aeruginosa lipase enzyme from in silico and in vitro studies

Journal of biomolecular structure & dynamics, 2024-03, Vol.42 (5), p.2197-2210

2024

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Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailii

Biotechnology and bioengineering, 2016-04, Vol.113 (4), p.744-753

2016

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In silico and in vitro studies confirm Ondansetron as a novel acetylcholinesterase and butyrylcholinesterase inhibitor

Scientific reports, 2023-01, Vol.13 (1), p.643-14, Article 643

2023

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Binding Modes of Xanthine‐Derived Selective Allosteric Site Inhibitors of MTHFD2

ChemistryOpen (Weinheim), 2023-05, Vol.12 (5), p.e202300052-n/a

2023

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Targeting cancer using KAT inhibitors to mimic lethal knockouts

Biochemical Society transactions, 2016-08, Vol.44 (4), p.979

2016

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Analysis of aquaporins from the euryhaline barnacle Balanus improvisus reveals differential expression in response to changes in salinity

PloS one, 2017-07, Vol.12 (7), p.e0181192

2017

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Loss of WD2 subdomain of Apaf-1 forms an apoptosome structure which blocks activation of caspase-3 and caspase-9

Biochimie, 2021-01, Vol.180, p.23-29

2021

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The unfolded protein response modulators GSK2606414 and KIRA6 are potent KIT inhibitors

Cell death & disease, 2019-04, Vol.10 (4), p.300, Article 300

2019

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Footprints of natural selection at the mannose-6-phosphate isomerase locus in barnacles

Proceedings of the National Academy of Sciences - PNAS, 2020-03, Vol.117 (10), p.5376-5385

2020

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In silico and in vitro studies of the reduction of unsaturated α,β bonds of trans-2-hexenedioic acid and 6-amino-trans-2-hexenoic acid - Important steps towards biobased production of adipic acid

PloS one, 2018, Vol.13 (2), p.e0193503-e0193503

2018

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Protein kinase A controls yeast growth in visible light

BMC biology, 2020-11, Vol.18 (1), p.168-168, Article 168

2020

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Exploration of multiple Sortase A protein conformations in virtual screening

Scientific reports, 2016-02, Vol.6 (1), p.20413-20413, Article 20413

2016

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Photochemical Reaction Mechanism of UV-B-Induced Monomerization of UVR8 Dimers as the First Signaling Event in UV-B-Regulated Gene Expression in Plants

The journal of physical chemistry. B, 2014-01, Vol.118 (4), p.951-965

2014

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Molecular-dynamics-simulation-guided membrane engineering allows the increase of membrane fatty acid chain length in Saccharomyces cerevisiae

Scientific reports, 2021-08, Vol.11 (1), p.17333-17333, Article 17333

2021

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Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process

Scientific reports, 2017-08, Vol.7 (1), p.8885-10, Article 8885

2017

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Secretion of protein disulphide isomerase AGR2 confers tumorigenic properties

eLife, 2016-05, Vol.5

2016

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Effect of Kinase Inhibiting RNase Attenuator (KIRA) Compounds on the Formation of Face-to-Face Dimers of Inositol-Requiring Enzyme 1: Insights from Computational Modeling

International journal of molecular sciences, 2019-11, Vol.20 (22), p.5538

2019

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Absorption Spectra of RiboflavinA Difficult Case for Computational Chemistry

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-09, Vol.114 (37), p.10234-10242

2010

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Apoptosome Formation through Disruption of the K192-D616 Salt Bridge in the Apaf‑1 Closed Form

ACS omega, 2021-09, Vol.6 (35), p.22551-22558

2021

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Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study

Journal of chemical theory and computation, 2010-07, Vol.6 (7), p.2086-2094

2010

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SARS-CoV-2 integral membrane proteins shape the serological responses of patients with COVID-19

iScience, 2021-10, Vol.24 (10), p.103185-103185, Article 103185

2021

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Theoretical Study of Cisplatin Binding to DNA: The Importance of Initial Complex Stabilization

The journal of physical chemistry. B, 2005-06, Vol.109 (21), p.11006-11015

2005

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Catalytic Roles of Active-Site Residues in 2-Methyl-3-hydroxypyridine-5-carboxylic Acid Oxygenase: An ONIOM/DFT Study

The journal of physical chemistry. B, 2011-03, Vol.115 (8), p.1918-1926

2011

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Sensor dimer disruption as a new mode of action to block the IRE1-mediated unfolded protein response

Computational and structural biotechnology journal, 2022-01, Vol.20, p.1584-1592

2022

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Discovery of novel inhibitors for Pseudomonas aeruginosa lipase enzyme from in silico and in vitro studies

Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailii

In silico and in vitro studies confirm Ondansetron as a novel acetylcholinesterase and butyrylcholinesterase inhibitor

Binding Modes of Xanthine‐Derived Selective Allosteric Site Inhibitors of MTHFD2

Targeting cancer using KAT inhibitors to mimic lethal knockouts

Analysis of aquaporins from the euryhaline barnacle Balanus improvisus reveals differential expression in response to changes in salinity

Loss of WD2 subdomain of Apaf-1 forms an apoptosome structure which blocks activation of caspase-3 and caspase-9

The unfolded protein response modulators GSK2606414 and KIRA6 are potent KIT inhibitors

Footprints of natural selection at the mannose-6-phosphate isomerase locus in barnacles

Control of anterior GRadient 2 (AGR2) dimerization links endoplasmic reticulum proteostasis to inflammation

In silico and in vitro studies of the reduction of unsaturated α,β bonds of trans-2-hexenedioic acid and 6-amino-trans-2-hexenoic acid - Important steps towards biobased production of adipic acid

Protein kinase A controls yeast growth in visible light

Exploration of multiple Sortase A protein conformations in virtual screening

Photochemical Reaction Mechanism of UV-B-Induced Monomerization of UVR8 Dimers as the First Signaling Event in UV-B-Regulated Gene Expression in Plants

Molecular-dynamics-simulation-guided membrane engineering allows the increase of membrane fatty acid chain length in Saccharomyces cerevisiae

Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process

Secretion of protein disulphide isomerase AGR2 confers tumorigenic properties

Effect of Kinase Inhibiting RNase Attenuator (KIRA) Compounds on the Formation of Face-to-Face Dimers of Inositol-Requiring Enzyme 1: Insights from Computational Modeling

Absorption Spectra of RiboflavinA Difficult Case for Computational Chemistry

Apoptosome Formation through Disruption of the K192-D616 Salt Bridge in the Apaf‑1 Closed Form

Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study

SARS-CoV-2 integral membrane proteins shape the serological responses of patients with COVID-19

Theoretical Study of Cisplatin Binding to DNA: The Importance of Initial Complex Stabilization

Catalytic Roles of Active-Site Residues in 2-Methyl-3-hydroxypyridine-5-carboxylic Acid Oxygenase: An ONIOM/DFT Study

Sensor dimer disruption as a new mode of action to block the IRE1-mediated unfolded protein response

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