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“Recycling” Classical Drugs for Malaria

Chemical reviews, 2014-11, Vol.114 (22), p.11164-11220

2014

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Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

Chemical Society reviews, 2014-01, Vol.43 (14), p.4922-4939

2014

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Non-ionic hydrophobic eutectics - versatile solvents for tailored metal separation and valorisation

Green chemistry : an international journal and green chemistry resource : GC, 2020-05, Vol.22 (9), p.281-282

2020

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Enhancement of Ethane Selectivity in Ethane–Ethylene Mixtures by Perfluoro Groups in Zr-Based Metal-Organic Frameworks

ACS applied materials & interfaces, 2019-07, Vol.11 (30), p.27410-27421

2019

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Unravelling the Structure of Chemisorbed CO2 Species in Mesoporous Aminosilicas: A Critical Survey

Environmental science & technology, 2019-03, Vol.53 (5), p.2758-2767

2019

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Novel insights into biomass delignification with acidic deep eutectic solvents: a mechanistic study of β-O-4 ether bond cleavage and the role of the halide counterion in the catalytic performance

Green chemistry : an international journal and green chemistry resource : GC, 2020-04, Vol.22 (8), p.2474-2487

2020

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Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (31), p.5832-5840

2014

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Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino Acids

The journal of physical chemistry. B, 2013-05, Vol.117 (20), p.6116-6128

2013

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New Model for Predicting Adsorption of Polar Molecules in Metal–Organic Frameworks with Unsaturated Metal Sites

The journal of physical chemistry letters, 2018-06, Vol.9 (12), p.3544-3553

2018

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Falcipains, Plasmodium falciparum cysteine proteases as key drug targets against malaria

Current medicinal chemistry, 2011-04, Vol.18 (10), p.1555-1572

2011

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Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents

Materials, 2022-09, Vol.15 (18), p.6416

2022

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Understanding Gas Adsorption Selectivity in IRMOF‑8 Using Molecular Simulation

ACS applied materials & interfaces, 2015-01, Vol.7 (1), p.624-637

2015

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Multifunctionality in an Ion-Exchanged Porous Metal–Organic Framework

Journal of the American Chemical Society, 2021-01, Vol.143 (3), p.1365-1376

2021

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Quantifying the Uncertainty of Force Field Selection on Adsorption Predictions in MOFs

Journal of chemical theory and computation, 2024-06, Vol.20 (11), p.4869-4884

2024

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Cinnamic Derivatives as Antitubercular Agents: Characterization by Quantitative Structure-Activity Relationship Studies

Molecules (Basel, Switzerland), 2020-01, Vol.25 (3), p.456

2020

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Influence of Ethanol Parametrization on Diffusion Coefficients Using OPLS-AA Force Field

International journal of molecular sciences, 2023-04, Vol.24 (8), p.7316

2023

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N‑Cinnamoylated Chloroquine Analogues as Dual-Stage Antimalarial Leads

Journal of medicinal chemistry, 2013-01, Vol.56 (2), p.556-567

2013

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Vapor–Liquid Equilibria of Imidazolium Ionic Liquids with Cyano Containing Anions with Water and Ethanol

The journal of physical chemistry. B, 2015-08, Vol.119 (32), p.10287-10303

2015

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Solubilities of Amino Acids in Aqueous Solutions of Chloride or Nitrate Salts of Divalent (Mg2+ or Ca2+) Cations

Journal of chemical and engineering data, 2022-06, Vol.67 (6), p.1565-1572

2022

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Mechanism of ionic-liquid-based acidic aqueous biphasic system formation

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (15), p.9838-9846

2018

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Modeling Adsorption in Metal–Organic Frameworks with Open Metal Sites: Propane/Propylene Separations

Langmuir, 2012-06, Vol.28 (22), p.8537-8549

2012

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Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool

Journal of colloid and interface science, 2016-04, Vol.468, p.86-94

2016

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DFT Study of the Adsorption of d ‑(l -)Cysteine on Flat and Chiral Stepped Gold Surfaces

Langmuir, 2013-07, Vol.29 (28), p.8856-8864

2013

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MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers

ACS nano, 2022-08, Vol.16 (8), p.12541-12552

2022

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Implicit solvent effects in the determination of Brønsted-Evans-Polanyi relationships for heterogeneously catalyzed reactions

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (32), p.17687-17695

2019

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“Recycling” Classical Drugs for Malaria

Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

Non-ionic hydrophobic eutectics - versatile solvents for tailored metal separation and valorisation

Enhancement of Ethane Selectivity in Ethane–Ethylene Mixtures by Perfluoro Groups in Zr-Based Metal-Organic Frameworks

Unravelling the Structure of Chemisorbed CO2 Species in Mesoporous Aminosilicas: A Critical Survey

Novel insights into biomass delignification with acidic deep eutectic solvents: a mechanistic study of β-O-4 ether bond cleavage and the role of the halide counterion in the catalytic performance

Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends

Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino Acids

New Model for Predicting Adsorption of Polar Molecules in Metal–Organic Frameworks with Unsaturated Metal Sites

Falcipains, Plasmodium falciparum cysteine proteases as key drug targets against malaria

Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents

Understanding Gas Adsorption Selectivity in IRMOF‑8 Using Molecular Simulation

Multifunctionality in an Ion-Exchanged Porous Metal–Organic Framework

Quantifying the Uncertainty of Force Field Selection on Adsorption Predictions in MOFs

Cinnamic Derivatives as Antitubercular Agents: Characterization by Quantitative Structure-Activity Relationship Studies

Influence of Ethanol Parametrization on Diffusion Coefficients Using OPLS-AA Force Field

N‑Cinnamoylated Chloroquine Analogues as Dual-Stage Antimalarial Leads

Vapor–Liquid Equilibria of Imidazolium Ionic Liquids with Cyano Containing Anions with Water and Ethanol

Solubilities of Amino Acids in Aqueous Solutions of Chloride or Nitrate Salts of Divalent (Mg2+ or Ca2+) Cations

Mechanism of ionic-liquid-based acidic aqueous biphasic system formation

Modeling Adsorption in Metal–Organic Frameworks with Open Metal Sites: Propane/Propylene Separations

Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool

DFT Study of the Adsorption of d ‑(l -)Cysteine on Flat and Chiral Stepped Gold Surfaces

MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers

Implicit solvent effects in the determination of Brønsted-Evans-Polanyi relationships for heterogeneously catalyzed reactions

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