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Carbon Dioxide Capture in the Iron and Steel Industry: Thermodynamic Analysis, Process Simulation, and Life Cycle Assessment

Chemical and Biochemical Engineering Quarterly, 2023-02, Vol.36 (4), p.255-271

2023

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The Sigma Enigma: In Vitro/in Silico Site-Directed Mutagenesis Studies Unveil σ1 Receptor Ligand Binding

Biochemistry (Easton), 2014-05, Vol.53 (18), p.2993-3003

2014

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Combined Mesoscale/Experimental Study of Selective Placement of Magnetic Nanoparticles in Diblock Copolymer Films via Solvent Vapor Annealing

Journal of physical chemistry. C, 2016-04, Vol.120 (13), p.7403-7411

2016

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Cationic carbosilane dendrimers and oligonucleotide binding: an energetic affair

Nanoscale, 2015-03, Vol.7 (9), p.3876-3887

2015

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Tell me something I do not know. Multiscale molecular modeling of dendrimer/ dendron organization and self-assembly in gene therapy

Current medicinal chemistry, 2012-10, Vol.19 (29), p.5062

2012

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A combined in silico/in vitro approach unveils common molecular requirements for efficient BVDV RdRp binding of linear aromatic N-polycyclic systems

European journal of medicinal chemistry, 2016-07, Vol.117, p.321-334

2016

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Functional analyses and molecular modeling of two c-Kit mutations responsible for imatinib secondary resistance in GIST patients

Oncogene, 2006-10, Vol.25 (45), p.6140-6146

2006

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249 Bcr-Abl1 V304D mutation in CML: Friend or foe?

European journal of cancer (1990), 2015-09, Vol.51, p.S43-S43

2015

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Anticancer drug nanomicelles formed by self-assembling amphiphilic dendrimer to combat cancer drug resistance

Proceedings of the National Academy of Sciences - PNAS, 2015-03, Vol.112 (10), p.2978-2983

2015

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BESSICC, a COSMO-RS based tool for in silico solvent screening of biocatalyzed reactions

Biotechnology and bioengineering, 2012-07, Vol.109 (7), p.1864-1868

2012

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Host–guest inclusion complexes between anticancer drugs and β-cyclodextrin: computational studies

Carbohydrate polymers, 2003-07, Vol.53 (1), p.15-44

2003

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T670X KIT Mutations in Gastrointestinal Stromal Tumors: Making Sense of Missense

JNCI : Journal of the National Cancer Institute, 2009-02, Vol.101 (3), p.194-204

2009

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Hydrogen sulphide removal from biogas by zeolite adsorption Part I. GCMC molecular simulations

Chemical engineering journal (Lausanne, Switzerland : 1996), 2008-12, Vol.145 (1), p.86-92

2008

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In Silico Prediction of Medium Effects on Esterification Equilibrium Using the COSMO‐RS Method

Biotechnology progress, 2006-07, Vol.22 (4), p.1146-1152

2006

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Simulation of process for electrical energy production based on molten carbonate fuel cells

Journal of power sources, 2003-04, Vol.115 (2), p.210-218

2003

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Multiscale molecular modeling in nanostructured material design and process system engineering

Computers & chemical engineering, 2009-10, Vol.33 (10), p.1701-1710

2009

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Molecular Simulation of Atrazine Adhesion and Diffusion in a Saturated Sand Model

Soil & sediment contamination, 2010-01, Vol.19 (1), p.72-87

2010

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GCMC simulations in zeolite MFI and activated carbon for benzene removal from exhaust gaseous streams

Molecular simulation, 2008-09, Vol.34 (10-15), p.1321-1327

2008

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Studying enzyme enantioselectivity using combined ab initio and free energy calculations: α-chymotrypsin and methyl cis- and trans-5-oxo-2-pentylpirrolidine-3-carboxylates

Tetrahedron: asymmetry, 2003-10, Vol.14 (21), p.3385-3399

2003

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Molecular simulation of host–guest inclusion compounds: an approach to the lactodendrimers case

Carbohydrate polymers, 2001-05, Vol.45 (1), p.23-33

2001

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Impact of siRNA Overhangs for Dendrimer-Mediated siRNA Delivery and Gene Silencing

Molecular pharmaceutics, 2013-08, Vol.10 (8), p.3262-3273

2013

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A comparative study of nanocomposites based on a recycled poly(methyl methacrylate) matrix containing several nanoclays

Polymer composites, 2008-07, Vol.29 (7), p.782-790

2008

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Process Simulation for Molten Carbonate Fuel Cells

Fuel cells (Weinheim an der Bergstrasse, Germany), 2005-02, Vol.5 (1), p.66-79

2005

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Cationic carbosilane dendrimers and oligonucleotide binding: an energetic affairElectronic supplementary information (ESI) available: Additional figures and tables. See DOI: 10.1039/c4nr04510f

2015-02

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Hydrogen sulfide removal from biogas by zeolite adsorption. Part II. MD simulations

Chemical engineering journal (Lausanne, Switzerland : 1996), 2008-12, Vol.145 (1), p.93-99

2008

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Carbon Dioxide Capture in the Iron and Steel Industry: Thermodynamic Analysis, Process Simulation, and Life Cycle Assessment

The Sigma Enigma: In Vitro/in Silico Site-Directed Mutagenesis Studies Unveil σ1 Receptor Ligand Binding

Combined Mesoscale/Experimental Study of Selective Placement of Magnetic Nanoparticles in Diblock Copolymer Films via Solvent Vapor Annealing

Cationic carbosilane dendrimers and oligonucleotide binding: an energetic affair

Tell me something I do not know. Multiscale molecular modeling of dendrimer/ dendron organization and self-assembly in gene therapy

A combined in silico/in vitro approach unveils common molecular requirements for efficient BVDV RdRp binding of linear aromatic N-polycyclic systems

Functional analyses and molecular modeling of two c-Kit mutations responsible for imatinib secondary resistance in GIST patients

249 Bcr-Abl1 V304D mutation in CML: Friend or foe?

Anticancer drug nanomicelles formed by self-assembling amphiphilic dendrimer to combat cancer drug resistance

BESSICC, a COSMO-RS based tool for in silico solvent screening of biocatalyzed reactions

Host–guest inclusion complexes between anticancer drugs and β-cyclodextrin: computational studies

T670X KIT Mutations in Gastrointestinal Stromal Tumors: Making Sense of Missense

Hydrogen sulphide removal from biogas by zeolite adsorption Part I. GCMC molecular simulations

In Silico Prediction of Medium Effects on Esterification Equilibrium Using the COSMO‐RS Method

Simulation of process for electrical energy production based on molten carbonate fuel cells

Multiscale molecular modeling in nanostructured material design and process system engineering

Molecular Simulation of Atrazine Adhesion and Diffusion in a Saturated Sand Model

GCMC simulations in zeolite MFI and activated carbon for benzene removal from exhaust gaseous streams

Studying enzyme enantioselectivity using combined ab initio and free energy calculations: α-chymotrypsin and methyl cis- and trans-5-oxo-2-pentylpirrolidine-3-carboxylates

Molecular simulation of host–guest inclusion compounds: an approach to the lactodendrimers case

Impact of siRNA Overhangs for Dendrimer-Mediated siRNA Delivery and Gene Silencing

A comparative study of nanocomposites based on a recycled poly(methyl methacrylate) matrix containing several nanoclays

Process Simulation for Molten Carbonate Fuel Cells

Cationic carbosilane dendrimers and oligonucleotide binding: an energetic affairElectronic supplementary information (ESI) available: Additional figures and tables. See DOI: 10.1039/c4nr04510f

Hydrogen sulfide removal from biogas by zeolite adsorption. Part II. MD simulations

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