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Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

Nature communications, 2018-09, Vol.9 (1), p.3559-15, Article 3559

2018

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Note on: “Ballistic model for the prediction of penetration depth and residual velocity in adobe: A new interpretation of the ballistic resistance of earthen masonry”

Defence technology, 2024-01, Vol.31, p.607-609

2024

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Dependence of impact regime boundaries on the initial temperatures of projectiles and targets

Defence technology, 2024-01, Vol.31, p.49-57

2024

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Dissecting the Hydrophobic Effect on the Molecular Level: The Role of Water, Enthalpy, and Entropy in Ligand Binding to Thermolysin

Angewandte Chemie International Edition, 2013-02, Vol.52 (6), p.1822-1828

International ed. in English, 2013

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Ligand Binding Stepwise Disrupts Water Network in Thrombin: Enthalpic and Entropic Changes Reveal Classical Hydrophobic Effect

Journal of medicinal chemistry, 2012-07, Vol.55 (13), p.6094-6110

2012

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Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants

Angewandte Chemie International Edition, 2013-11, Vol.52 (45), p.11930-11934

2013

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High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

Structure (London), 2016-08, Vol.24 (8), p.1398-1409

2016

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More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin

Journal of molecular biology, 2009-07, Vol.390 (1), p.56-69

2009

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Broad anti-pathogen potential of DEAD box RNA helicase eIF4A-targeting rocaglates

Scientific reports, 2023-06, Vol.13 (1), p.9297-15, Article 9297

2023

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A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II

Biomolecules (Basel, Switzerland), 2020-03, Vol.10 (4), p.518

2020

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Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition

Journal of medicinal chemistry, 2004-01, Vol.47 (3), p.550-557

2004

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Screening, Growing, and Validation by Catalog: Using Synthetic Intermediates from Natural Product Libraries to Discover Fragments for an Aspartic Protease Through Crystallography

Crystals (Basel), 2024-09, Vol.14 (9), p.755

2024

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Transition regime between high-velocity and hypervelocity impact in metals – A review of the relevant phenomena for material modeling in ballistic impact studies

International journal of impact engineering, 2022-09, Vol.167, p.104213, Article 104213

2022

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Characterization of the transition regime between high-velocity and hypervelocity impact: thermal effects and energy partitioning in metals

International journal of impact engineering, 2021-05, Vol.151, p.103774, Article 103774

2021

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Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands

ACS omega, 2024-07, Vol.9 (30), p.33193-33203

2024

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Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD

PloS one, 2010-05, Vol.5 (5), p.e10647-e10647

2010

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Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC

ACS omega, 2023-12, Vol.8 (48), p.46051-46065

2023

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Corrigendum to ‘Transition regime between high-velocity and hypervelocity impact in metals – A review of the relevant phenomena for material modeling in ballistic impact studies’ [Int J Impact Eng 167 (2022) 104213]

International journal of impact engineering, 2023-05, Vol.175, p.104546, Article 104546

2023

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Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors

Angewandte Chemie International Edition, 2015-02, Vol.54 (9), p.2849-2853

International ed. in English, 2015

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Soaking suggests "alternative facts": Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition

PloS one, 2017-04, Vol.12 (4), p.e0175723-e0175723

2017

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Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties

Journal of molecular biology, 2011-02, Vol.405 (5), p.1170-1187

2011

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Potent anti-coronaviral activity of pateamines and new insights into their mode of action

Heliyon, 2024-07, Vol.10 (13), p.e33409, Article e33409

2024

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The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II

Biomolecules (Basel, Switzerland), 2020-03, Vol.10 (4), p.509

2020

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Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase?

Biomolecules (Basel, Switzerland), 2021-12, Vol.11 (12), p.1837

2021

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Observation of Covalent Intermediates in an Enzyme Mechanism at Atomic Resolution

Science (American Association for the Advancement of Science), 2001-10, Vol.294 (5541), p.369-374

2001

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Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

Note on: “Ballistic model for the prediction of penetration depth and residual velocity in adobe: A new interpretation of the ballistic resistance of earthen masonry”

Dependence of impact regime boundaries on the initial temperatures of projectiles and targets

Dissecting the Hydrophobic Effect on the Molecular Level: The Role of Water, Enthalpy, and Entropy in Ligand Binding to Thermolysin

Ligand Binding Stepwise Disrupts Water Network in Thrombin: Enthalpic and Entropic Changes Reveal Classical Hydrophobic Effect

Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants

High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin

Broad anti-pathogen potential of DEAD box RNA helicase eIF4A-targeting rocaglates

A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II

Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition

Screening, Growing, and Validation by Catalog: Using Synthetic Intermediates from Natural Product Libraries to Discover Fragments for an Aspartic Protease Through Crystallography

Transition regime between high-velocity and hypervelocity impact in metals – A review of the relevant phenomena for material modeling in ballistic impact studies

Characterization of the transition regime between high-velocity and hypervelocity impact: thermal effects and energy partitioning in metals

Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands

Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD

Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC

Corrigendum to ‘Transition regime between high-velocity and hypervelocity impact in metals – A review of the relevant phenomena for material modeling in ballistic impact studies’ [Int J Impact Eng 167 (2022) 104213]

Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors

Soaking suggests "alternative facts": Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition

Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties

Potent anti-coronaviral activity of pateamines and new insights into their mode of action

The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II

Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase?

Observation of Covalent Intermediates in an Enzyme Mechanism at Atomic Resolution

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