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Guidelines for the analysis of free energy calculations

Journal of computer-aided molecular design, 2015-05, Vol.29 (5), p.397-411

2015

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Perspective: Alchemical free energy calculations for drug discovery

The Journal of chemical physics, 2012-12, Vol.137 (23), p.230901-230901

2012

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Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Journal of computer-aided molecular design, 2010-04, Vol.24 (4), p.307-316

2010

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A Python tool to set up relative free energy calculations in GROMACS

Journal of computer-aided molecular design, 2015-11, Vol.29 (11), p.1007-1014

2015

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Implicit-descriptor ligand-based virtual screening by means of collaborative filtering

Journal of cheminformatics, 2018-11, Vol.10 (1), p.56-20, Article 56

2018

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Investigation of the Molecular Evolution of Treg Suppression Mechanisms Indicates a Convergent Origin

Current issues in molecular biology, 2023-01, Vol.45 (1), p.628-648

2023

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Interleukins and Interleukin Receptors Evolutionary History and Origin in Relation to CD4+ T Cell Evolution

Genes, 2021-05, Vol.12 (6), p.813

2021

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Paracellular and Transcellular Leukocytes Diapedesis Are Divergent but Interconnected Evolutionary Events

Genes, 2021-02, Vol.12 (2), p.254

2021

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What has single‐cell RNA sequencing revealed about microglial neuroimmunology?

Immunity, Inflammation and Disease, 2020-12, Vol.8 (4), p.825-839

2020

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Investigation of Evolutionary History and Origin of the Tre1 Family Suggests a Role in Regulating Hemocytes Cells Infiltration of the Blood–Brain Barrier

Insects (Basel, Switzerland), 2021-09, Vol.12 (10), p.882

2021

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Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Journal of computer-aided molecular design, 2013, Vol.27 (1), p.105-105

2013

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Testing, understanding, and automating applications of alchemical free energy calculations

Klimovich, Pavel

2015

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What is Killing Organic Photovoltaics: Light‐Induced Crosslinking as a General Degradation Pathway of Organic Conjugated Molecules

Advanced energy materials, 2020-02, Vol.10 (7), p.n/a

2020

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Novel functionalized indigo derivatives for organic electronics

Dyes and pigments, 2021-02, Vol.186, p.108966, Article 108966

2021

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Functionalized Naphthalene Diimides as Low‐Cost Organic Cathodes for Potassium Batteries

Physica status solidi. A, Applications and materials science, 2020-06, Vol.217 (12), p.n/a

2020

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A Bicistronic Plasmid Encoding Brain-Derived Neurotrophic Factor and Urokinase Plasminogen Activator Stimulates Peripheral Nerve Regeneration After Injury

The Journal of pharmacology and experimental therapeutics, 2020-03, Vol.372 (3), p.248-255

2020

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Effect of Alkyl Side Chains on the Photovoltaic Performance of 2,1,3‐Benzoxadiazole‐Based (‐X‐DADAD‐)n‐Type Copolymers

Macromolecular chemistry and physics, 2017-08, Vol.218 (15), p.n/a

2017

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Films enriched with semiconducting single-walled carbon nanotubes by aerosol N2O etching

Carbon (New York), 2023-08, Vol.212, p.118094, Article 118094

2023

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Synthesis and characterization of benzobisthiazole based polymers as donor materials for organic solar cells

Mendeleev communications, 2021-01, Vol.31 (1), p.30-32

2021

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Dibenzoindigo: A Nature‐Inspired Biocompatible Semiconductor Material for Sustainable Organic Electronics

Advanced optical materials, 2017-05, Vol.5 (9), p.n/a

2017

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Pathomorphological Markers of Overcoming Radioresistance in the Treatment of Cervical Cancer

International journal of biomedicine, 2020-06, Vol.10 (2), p.120-123

2020

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Impact of the acceptor units on optoelectronic and photovoltaic properties of (XDADAD)n-type copolymers: Computational and experimental study

Dyes and pigments, 2021-02, Vol.185, p.108899, Article 108899

2021

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Preliminary assessment of the possibility of using urokinase uPA and urokinase receptor uPAR as universal diagnostic criteria in patients with colorectal and gastric adenocarcinoma

Sovremennaia onkologiia : zhurnal kafedry onkologii RMAPO dlia nepreryvnogo poslediplomnogo obrazovaniia, 2021-12, Vol.23 (4), p.674-679

2021

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Biocompatible Organic Electronics: Dibenzoindigo: A Nature‐Inspired Biocompatible Semiconductor Material for Sustainable Organic Electronics (Advanced Optical Materials 9/2017)

Advanced optical materials, 2017-05, Vol.5 (9), p.n/a

2017

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5,6-Bis(octyloxy)-2,1,3-benzoxadiazole-based (X–DADAD)n polymers incorporating electron-donor building blocks used as photoactive materials in organic solar cells

Mendeleev communications, 2017-03, Vol.27 (2), p.207-209

2017

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Guidelines for the analysis of free energy calculations

Perspective: Alchemical free energy calculations for drug discovery

Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

A Python tool to set up relative free energy calculations in GROMACS

Implicit-descriptor ligand-based virtual screening by means of collaborative filtering

Investigation of the Molecular Evolution of Treg Suppression Mechanisms Indicates a Convergent Origin

Interleukins and Interleukin Receptors Evolutionary History and Origin in Relation to CD4+ T Cell Evolution

Paracellular and Transcellular Leukocytes Diapedesis Are Divergent but Interconnected Evolutionary Events

What has single‐cell RNA sequencing revealed about microglial neuroimmunology?

Investigation of Evolutionary History and Origin of the Tre1 Family Suggests a Role in Regulating Hemocytes Cells Infiltration of the Blood–Brain Barrier

Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Testing, understanding, and automating applications of alchemical free energy calculations

What is Killing Organic Photovoltaics: Light‐Induced Crosslinking as a General Degradation Pathway of Organic Conjugated Molecules

Novel functionalized indigo derivatives for organic electronics

Functionalized Naphthalene Diimides as Low‐Cost Organic Cathodes for Potassium Batteries

A Bicistronic Plasmid Encoding Brain-Derived Neurotrophic Factor and Urokinase Plasminogen Activator Stimulates Peripheral Nerve Regeneration After Injury

Effect of Alkyl Side Chains on the Photovoltaic Performance of 2,1,3‐Benzoxadiazole‐Based (‐X‐DADAD‐)n‐Type Copolymers

Films enriched with semiconducting single-walled carbon nanotubes by aerosol N2O etching

Synthesis and characterization of benzobisthiazole based polymers as donor materials for organic solar cells

Dibenzoindigo: A Nature‐Inspired Biocompatible Semiconductor Material for Sustainable Organic Electronics

Pathomorphological Markers of Overcoming Radioresistance in the Treatment of Cervical Cancer

Impact of the acceptor units on optoelectronic and photovoltaic properties of (XDADAD)n-type copolymers: Computational and experimental study

Preliminary assessment of the possibility of using urokinase uPA and urokinase receptor uPAR as universal diagnostic criteria in patients with colorectal and gastric adenocarcinoma

Biocompatible Organic Electronics: Dibenzoindigo: A Nature‐Inspired Biocompatible Semiconductor Material for Sustainable Organic Electronics (Advanced Optical Materials 9/2017)

5,6-Bis(octyloxy)-2,1,3-benzoxadiazole-based (X–DADAD)n polymers incorporating electron-donor building blocks used as photoactive materials in organic solar cells

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