Journal of Medicinal Chemistry

Current research reports and chronological list of recent articles.


The international scientific Journal of Medicinal Chemistry publishes studies that contribute to an understanding of the relationship between molecular structure and biological activity or mode of action.

The publisher is the American Chemical Society, ACS. The copyright and publishing rights of specialized products listed below are in this publishing house. This is also responsible for the content shown.

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Additional research articles see Current Chemistry Research Articles. Magazines with similar content (medicinal chemistry):

 - Bioorganic and Medicinal Chemistry Letters,

 - European Journal of Medicinal Chemistry.

 - Journal of Enzyme Inhibition and Medicinal Chemistry,

 - Medicinal Chemistry Research,



Journal of Medicinal Chemistry - Abstracts



A Prospective Virtual Screening Study: Enriching Hit Rates and Designing Focus Libraries To Find Inhibitors of PI3Kδ and PI3Kγ

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01974

Datum: 28.04.2016


Development of Potent and Selective Inhibitors for Group VIA Calcium-Independent Phospholipase A2 Guided by Molecular Dynamics and Structure–Activity Relationships

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00377

Datum: 28.04.2016


Probing the Anticancer Action of Oridonin with Fluorescent Analogues: Visualizing Subcellular Localization to Mitochondria

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00408

Datum: 27.04.2016


An Advanced Tool To Interrogate BRD9

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00550

Datum: 27.04.2016


Synthesis and Anti-Influenza Activity of Pyridine, Pyridazine, and Pyrimidine C-Nucleosides as Favipiravir (T-705) Analogues

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01933

Datum: 27.04.2016


Isatin Derived Spirocyclic Analogues with α-Methylene-γ-butyrolactone as Anticancer Agents: A Structure–Activity Relationship Study

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00400

Datum: 26.04.2016


Zinc(II)–Thiosemicarbazone Complexes Are Localized to the Lysosomal Compartment Where They Transmetallate with Copper Ions to Induce Cytotoxicity

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00238

Datum: 26.04.2016


Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00002

Datum: 26.04.2016


Neurosteroid-like Inhibitors of N-Methyl-d-aspartate Receptor: Substituted 2-Sulfates and 2-Hemisuccinates of Perhydrophenanthrene

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00079

Datum: 26.04.2016


Structural and Thermodynamic Characterization of Protein–Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00282

Datum: 26.04.2016


Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01806

Datum: 25.04.2016


Identification of Potential Off-target Toxicity Liabilities of Catechol-O-methyltransferase Inhibitors by Differential Competition Capture Compound Mass Spectrometry

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01970

Datum: 25.04.2016


Discovery and Structure–Activity Relationships of the Neoseptins: A New Class of Toll-like Receptor-4 (TLR4) Agonists

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00177

Datum: 25.04.2016


Discovery of a Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-ylamino)-pyrimidine Inhibitor of the Insulin-like Growth Factor-1 Receptor (IGF-1R)

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00203

Datum: 22.04.2016


WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand–Receptor Docking

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00131

Datum: 22.04.2016


Discovery, Optimization, and Biological Evaluation of Sulfonamidoacetamides as an Inducer of Axon Regeneration

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00015

Datum: 22.04.2016


Synthesis and Biological Evaluation of Vitamin D3 Metabolite 20S,23S-Dihydroxyvitamin D3 and Its 23R Epimer

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00182

Datum: 22.04.2016


Phthalocyanine Labels for Near-Infrared Fluorescence Imaging of Solid Tumors

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00054

Datum: 22.04.2016


Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00078

Datum: 21.04.2016


Development of Small Molecules that Specifically Inhibit the D-loop Activity of RAD51

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01762

Datum: 21.04.2016


Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00273

Datum: 20.04.2016


Design, Synthesis, and Biological Evaluation of Potential Prodrugs Related to the Experimental Anticancer Agent Indotecan (LMP400)

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00220

Datum: 20.04.2016


Discovery and Structural Characterization of G-quadruplex DNA in Human Acetyl-CoA Carboxylase Gene Promoters: Its Role in Transcriptional Regulation and as a Therapeutic Target for Human Disease

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00453

Datum: 20.04.2016


Polymerase Acidic Protein–Basic Protein 1 (PA–PB1) Protein–Protein Interaction as a Target for Next-Generation Anti-influenza Therapeutics

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01474

Datum: 19.04.2016


Notch Antagonists: Potential Modulators of Cancer and Inflammatory Diseases

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01516

Datum: 18.04.2016


Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine–G-Protein-Coupled-Receptor Interface

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b02042

Datum: 14.04.2016


Identifying Interactions that Determine Fragment Binding at Protein Hotspots

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01980

Datum: 11.04.2016


Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists’ Bread and Butter

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00153

Datum: 08.04.2016


Advances in Computational Medicinal Chemistry: A Reflection on the Evolution of the Field and Perspective Going Forward

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00511

Datum: 07.04.2016


Artemisinin-Derived Dimers: Potent Antimalarial and Anticancer Agents

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01380

Datum: 06.04.2016


Gamma Secretase Modulators: New Alzheimer’s Drugs on the Horizon?

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01960

Datum: 05.04.2016


Ten Years of Medicinal Chemistry (2005–2014) in the Journal of Medicinal Chemistry: Country of Contributors, Topics, and Public–Private Partnerships

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01349

Datum: 05.04.2016


Integrating Everything: The Molecule Selection Toolkit, a System for Compound Prioritization in Drug Discovery

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01338

Datum: 22.03.2016


PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01813

Datum: 18.03.2016


Avoiding Missed Opportunities by Analyzing the Sensitivity of Our Decisions

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01921

Datum: 18.03.2016


Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b02041

Datum: 17.03.2016


Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00045

Datum: 17.03.2016


Docking Screens for Novel Ligands Conferring New Biology

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b02008

Datum: 15.03.2016


Nociceptin Opioid Receptor (NOP) as a Therapeutic Target: Progress in Translation from Preclinical Research to Clinical Utility

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01499

Datum: 14.03.2016


Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01865

Datum: 10.03.2016


Targeting the Bacterial Division Protein FtsZ

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01098

Datum: 10.03.2016


An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01461

Datum: 29.02.2016


Recent Progress on Bile Acid Receptor Modulators for Treatment of Metabolic Diseases

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b00342

Datum: 29.02.2016


Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01946

Datum: 26.02.2016


Challenges and Perspectives on the Development of Small-Molecule EGFR Inhibitors against T790M-Mediated Resistance in Non-Small-Cell Lung Cancer

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b00840

Datum: 26.02.2016


Chemical Space of DNA-Encoded Libraries

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01874

Datum: 25.02.2016


A Real-World Perspective on Molecular Design

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01875

Datum: 24.02.2016


Design and Development of Microsomal Prostaglandin E2 Synthase-1 Inhibitors: Challenges and Future Directions

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01750

Datum: 24.02.2016


Structure-Based Design of Peptidic Inhibitors of the Interaction between CC Chemokine Ligand 5 (CCL5) and Human Neutrophil Peptides 1 (HNP1)

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01952

Datum: 23.02.2016


Lanthanides: Applications in Cancer Diagnosis and Therapy

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01975

Datum: 19.02.2016


Novel Strategies for the Treatment of Pseudomonas aeruginosa Infections

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01698

Datum: 18.02.2016


Quadruplex Nucleic Acids as Novel Therapeutic Targets

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01835

Datum: 16.02.2016


Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90–Kinase Interactions

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01106

Datum: 16.02.2016


De Novo Design at the Edge of Chaos

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01849

Datum: 16.02.2016


Antimalarial Chemotherapy: Natural Product Inspired Development of Preclinical and Clinical Candidates with Diverse Mechanisms of Action

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01485

Datum: 09.02.2016


Role of Molecular Dynamics and Related Methods in Drug Discovery

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01684

Datum: 08.02.2016


The Medicinal Chemistry of Dengue Virus

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01653

Datum: 05.02.2016


Computational Exploration of Molecular Scaffolds in Medicinal Chemistry

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01746

Datum: 03.02.2016


Development of Autotaxin Inhibitors: An Overview of the Patent and Primary Literature

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01599

Datum: 28.01.2016


Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01697

Datum: 22.01.2016


Recent Progress in the Discovery of Next Generation Inhibitors of Aromatase from the Structure–Function Perspective

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01281

Datum: 19.01.2016


Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01643

Datum: 12.01.2016


Interactive and Versatile Navigation of Structural Databases

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01756

Datum: 08.01.2016


Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K+ Channel 1). A Novel Therapeutic Target?

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b00671

Datum: 14.12.2015


Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01447

Datum: 14.12.2015


3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01296

Datum: 14.12.2015


Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01409

Datum: 01.12.2015


Use of Photosensitizers in Semisolid Formulations for Microbial Photodynamic Inactivation

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01129

Datum: 01.12.2015


Progress in the Development of Small Molecule Therapeutics for the Treatment of Neuronal Ceroid Lipofuscinoses (NCLs)

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01020

Datum: 24.11.2015


Monitoring the Progression of Structure–Activity Relationship Information during Lead Optimization

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01428

Datum: 16.11.2015


Structure-Based Inhibitor Design for Evaluation of a CYP3A4 Pharmacophore Model

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01146

Datum: 24.09.2015


OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b00886

Datum: 23.09.2015


Quantifying, Visualizing, and Monitoring Lead Optimization

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b00948

Datum: 21.08.2015


Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01011

Datum: 20.08.2015


DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites

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Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b00150

Datum: 10.07.2015






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