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Statistical Modelling of Molecular Descriptors in QSAR/QSPR

2. Aufl., 2012

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Clogging transition of many-particle systems flowing through bottlenecks

Scientific reports, 2014-12, Vol.4 (1), p.7324-7324, Article 7324

2014

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Shared structural mechanisms of general anaesthetics and benzodiazepines

Nature (London), 2020-09, Vol.585 (7824), p.303-308

2020

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Intrinsically disordered proteins: a 10-year recap

Trends in biochemical sciences (Amsterdam. Regular ed.), 2012-12, Vol.37 (12), p.509-516

Tompa, Peter

2012

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Novel Insights into the Inhibitory Mechanism of Kaempferol on Xanthine Oxidase

Journal of agricultural and food chemistry, 2015-01, Vol.63 (2), p.526-534

2015

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Computational Chemistry and Molecular Modeling: Principles and Applications

1, 2008

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Templates in Chemistry III

2009 edition., 2009

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Molecular basis for amyloid-β polymorphism

Proceedings of the National Academy of Sciences - PNAS, 2011-10, Vol.108 (41), p.16938-16943

2011

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Molecular basis for insulin fibril assembly

Proceedings of the National Academy of Sciences - PNAS, 2009-11, Vol.106 (45), p.18990-18995

2009

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Automated protein structure modeling with SWISS-MODEL Workspace and the Protein Model Portal

Methods in molecular biology (Clifton, N.J.), 2012, Vol.857, p.107

2012

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Comparison of Rosetta flexible‐backbone computational protein design methods on binding interactions

Proteins, structure, function, and bioinformatics, 2020-01, Vol.88 (1), p.206-226

2020

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The amyloid concentric β‐barrel hypothesis: Models of synuclein oligomers, annular protofibrils, lipoproteins, and transmembrane channels

Proteins, structure, function, and bioinformatics, 2022-02, Vol.90 (2), p.512-542

2022

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Binding of Oxytetracycline to Bovine Serum Albumin: Spectroscopic and Molecular Modeling Investigations

Journal of agricultural and food chemistry, 2010-09, Vol.58 (18), p.10262-10269

2010

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New Insights into Peritrophic Matrix Synthesis, Architecture, and Function

Annual review of entomology, 2009-01, Vol.54 (1), p.285-302

2009

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Investigating the inclusion properties of aromatic amino acids complexing beta-cyclodextrins in model peptides

Amino acids, 2015-10, Vol.47 (10), p.2215-2227

2015

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CYP9Q-mediated detoxification of acaricides in the honey bee (Apis mellifera)

Proceedings of the National Academy of Sciences - PNAS, 2011-08, Vol.108 (31), p.12657-12662

2011

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NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis

Nucleic acids research, 2006-07, Vol.34 (Web Server issue), p.W52-W56

2006

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Aggregation-Induced Emission (AIE): A Practical Guide

1, 2022

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Spectroscopic, structural and thermodynamic properties of chlorpyrifos bound to serum albumin: A comparative study between BSA and HSA

Journal of photochemistry and photobiology. B, Biology, 2012-04, Vol.109, p.1-11

2012

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Binding Characteristics of Sodium Saccharin with Calf Thymus DNA in Vitro

Journal of agricultural and food chemistry, 2014-01, Vol.62 (4), p.991-1000

2014

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Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes

The journal of physical chemistry letters, 2020-08, Vol.11 (15), p.5920-5925

2020

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Structure and mechanism of the ATPase that powers viral genome packaging

Proceedings of the National Academy of Sciences - PNAS, 2015-07, Vol.112 (29), p.E3792-E3799

2015

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Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

Nature communications, 2016-08, Vol.7 (1), p.12575-12575, Article 12575

2016

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Explore drug-like space with deep generative models

Methods (San Diego, Calif.), 2023-02, Vol.210, p.52-59

2023

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Construction of Molecular Model and Adsorption of Collectors on Bulianta Coal

Molecules (Basel, Switzerland), 2020-09, Vol.25 (17), p.4030

2020

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Statistical Modelling of Molecular Descriptors in QSAR/QSPR

Clogging transition of many-particle systems flowing through bottlenecks

Shared structural mechanisms of general anaesthetics and benzodiazepines

Intrinsically disordered proteins: a 10-year recap

Novel Insights into the Inhibitory Mechanism of Kaempferol on Xanthine Oxidase

Computational Chemistry and Molecular Modeling: Principles and Applications

Templates in Chemistry III

Molecular basis for amyloid-β polymorphism

Molecular basis for insulin fibril assembly

Automated protein structure modeling with SWISS-MODEL Workspace and the Protein Model Portal

Comparison of Rosetta flexible‐backbone computational protein design methods on binding interactions

The amyloid concentric β‐barrel hypothesis: Models of synuclein oligomers, annular protofibrils, lipoproteins, and transmembrane channels

Binding of Oxytetracycline to Bovine Serum Albumin: Spectroscopic and Molecular Modeling Investigations

New Insights into Peritrophic Matrix Synthesis, Architecture, and Function

Investigating the inclusion properties of aromatic amino acids complexing beta-cyclodextrins in model peptides

CYP9Q-mediated detoxification of acaricides in the honey bee (Apis mellifera)

NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis

Aggregation-Induced Emission (AIE): A Practical Guide

Spectroscopic, structural and thermodynamic properties of chlorpyrifos bound to serum albumin: A comparative study between BSA and HSA

Binding Characteristics of Sodium Saccharin with Calf Thymus DNA in Vitro

Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes

Structure and mechanism of the ATPase that powers viral genome packaging

Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

Explore drug-like space with deep generative models

Construction of Molecular Model and Adsorption of Collectors on Bulianta Coal

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