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Characterization and engineering of a plastic-degrading aromatic polyesterase

Proceedings of the National Academy of Sciences - PNAS, 2018-05, Vol.115 (19), p.E4350-E4357

2018

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Cellulose-Builder: A toolkit for building crystalline structures of cellulose

Journal of computational chemistry, 2012-05, Vol.33 (14), p.1338-1346

2012

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QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1902-1912

2021

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Effects of Xylan Side-Chain Substitutions on Xylan–Cellulose Interactions and Implications for Thermal Pretreatment of Cellulosic Biomass

Biomacromolecules, 2017-04, Vol.18 (4), p.1311-1321

2017

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A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion

Nature communications, 2018-06, Vol.9 (1), p.2487-12, Article 2487

2018

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Mechanism and biomass association of glucuronoyl esterase: an α/β hydrolase with potential in biomass conversion

Nature communications, 2022-03, Vol.13 (1), p.1449-1449, Article 1449

2022

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MassCCS: A High-Performance Collision Cross-Section Software for Large Macromolecular Assemblies

Journal of chemical information and modeling, 2023-06, Vol.63 (11), p.3557-3566

2023

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Transition Path Sampling Study of the Feruloyl Esterase Mechanism

The journal of physical chemistry. B, 2021-03, Vol.125 (8), p.2018-2030

2021

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Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists

PloS one, 2012-05, Vol.7 (5), p.e36297-e36297

2012

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Impact of cellulose properties on enzymatic degradation by bacterial GH48 enzymes: Structural and mechanistic insights from processive Bacillus licheniformis Cel48B cellulase

Carbohydrate polymers, 2021-07, Vol.264, p.118059-118059, Article 118059

2021

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Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

Carbon (New York), 2016-05, Vol.101, p.218-225

2016

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Devising Bone Molecular Models at the Nanoscale: From Usual Mineralized Collagen Fibrils to the First Bone Fibers Including Hydroxyapatite in the Extra-Fibrillar Volume

Materials, 2022-03, Vol.15 (6), p.2274

2022

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An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position

Scientific reports, 2017-06, Vol.7 (1), p.3509-11, Article 3509

2017

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Patient-Specific Bone Multiscale Modelling, Fracture Simulation and Risk Analysis-A Survey

Materials, 2019-12, Vol.13 (1), p.106

2019

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A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions

The Journal of chemical physics, 2010-03, Vol.132 (11), p.114509-114509

2010

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Structure, computational and biochemical analysis of PcCel45A endoglucanase from Phanerochaete chrysosporium and catalytic mechanisms of GH45 subfamily C members

Scientific reports, 2018-02, Vol.8 (1), p.3678-14, Article 3678

2018

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Directed Discovery of Greener Cosolvents: New Cosolvents for Use in Ionic Liquid Based Organic Electrolyte Solutions for Cellulose Dissolution

ACS sustainable chemistry & engineering, 2016-11, Vol.4 (11), p.6200-6207

2016

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X-ray structure and molecular dynamics simulations of endoglucanase 3 from Trichoderma harzianum: structural organization and substrate recognition by endoglucanases that lack cellulose binding module

PloS one, 2013-03, Vol.8 (3), p.e59069-e59069

2013

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Carbohydrate Clustering in Aqueous Solutions and the Dynamics of Confined Water

The journal of physical chemistry. B, 2007-10, Vol.111 (41), p.11948-11956

2007

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Importance of Water in Maintaining Softwood Secondary Cell Wall Nanostructure

Biomacromolecules, 2021-11, Vol.22 (11), p.4669-4680

2021

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Gaining ligand selectivity in thyroid hormone receptors via entropy

Proceedings of the National Academy of Sciences - PNAS, 2009-12, Vol.106 (49), p.20717-20722

2009

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CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor γ Ligands

International journal of molecular sciences, 2016-12, Vol.18 (1), p.15

2016

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Cellulose Aggregation under Hydrothermal Pretreatment Conditions

Biomacromolecules, 2016-08, Vol.17 (8), p.2582-2590

2016

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Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose

Plant physiology (Bethesda), 2016-08, Vol.171 (4), p.2418-2431

2016

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High performance collision cross section calculation—HPCCS

Journal of computational chemistry, 2018-08, Vol.39 (21), p.1675-1681

2018

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Characterization and engineering of a plastic-degrading aromatic polyesterase

Cellulose-Builder: A toolkit for building crystalline structures of cellulose

QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase

Effects of Xylan Side-Chain Substitutions on Xylan–Cellulose Interactions and Implications for Thermal Pretreatment of Cellulosic Biomass

A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion

Mechanism and biomass association of glucuronoyl esterase: an α/β hydrolase with potential in biomass conversion

MassCCS: A High-Performance Collision Cross-Section Software for Large Macromolecular Assemblies

Transition Path Sampling Study of the Feruloyl Esterase Mechanism

Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists

Impact of cellulose properties on enzymatic degradation by bacterial GH48 enzymes: Structural and mechanistic insights from processive Bacillus licheniformis Cel48B cellulase

Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

Devising Bone Molecular Models at the Nanoscale: From Usual Mineralized Collagen Fibrils to the First Bone Fibers Including Hydroxyapatite in the Extra-Fibrillar Volume

An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position

Patient-Specific Bone Multiscale Modelling, Fracture Simulation and Risk Analysis-A Survey

A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions

Structure, computational and biochemical analysis of PcCel45A endoglucanase from Phanerochaete chrysosporium and catalytic mechanisms of GH45 subfamily C members

Directed Discovery of Greener Cosolvents: New Cosolvents for Use in Ionic Liquid Based Organic Electrolyte Solutions for Cellulose Dissolution

X-ray structure and molecular dynamics simulations of endoglucanase 3 from Trichoderma harzianum: structural organization and substrate recognition by endoglucanases that lack cellulose binding module

Carbohydrate Clustering in Aqueous Solutions and the Dynamics of Confined Water

Importance of Water in Maintaining Softwood Secondary Cell Wall Nanostructure

Gaining ligand selectivity in thyroid hormone receptors via entropy

CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor γ Ligands

Cellulose Aggregation under Hydrothermal Pretreatment Conditions

Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose

High performance collision cross section calculation—HPCCS

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