(Q35532344)

8 August 2017

title

Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts (English)

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8 August 2017

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13

Andreas Bender

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8 August 2017

11

Robert C Glen

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8 August 2017

Georgios Drakakis

2

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Sonia Liggi

object named as

Sonia Liggi

1

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Adrian Velazquez-campoy

object named as

Adrian Velazquez-Campoy

7

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Suzanne C Brewerton

8

object named as

Suzanne C Brewerton

1 reference

8 August 2017

Alexios Koutsoukas

3

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8 August 2017

Isidro Cortes-Ciriano

4

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8 August 2017

Patricia Martínez-Alonso

5

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8 August 2017

Thérèse E Malliavin

6

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8 August 2017

Michael J Bodkin

9

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8 August 2017

David A Evans

10

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8 August 2017

José Alberto Carrodeguas

12

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8 August 2017

publication date

1 January 2014

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Future Medicinal Chemistry

8 August 2017

published in

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8 August 2017

volume

6

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8 August 2017

issue

18

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8 August 2017

page(s)

2029-2056

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The why and how of phenotypic small-molecule screens

8 August 2017

cites work

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Case histories, magic bullets and the state of drug discovery

21 January 2018

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Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds

21 January 2018

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How were new medicines discovered?

21 January 2018

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Is poor research the cause of the declining productivity of the pharmaceutical industry? An industry in need of a paradigm shift

21 January 2018

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Target identification and mechanism of action in chemical biology and drug discovery

21 January 2018

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Fragments, network biology and designing multiple ligands

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

Shifting from the single to the multitarget paradigm in drug discovery

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

Systems biology and systems chemistry: new directions for drug discovery

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

From in silico target prediction to multi-target drug design: current databases, methods and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Computational analysis of structure-activity relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

The role of computational methods in the identification of bioactive compounds

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

Discovering the targets of drugs via computational systems biology

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

Novel computational approaches to polypharmacology as a means to define responses to individual drugs

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.137

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Drug repositioning: a machine-learning approach through data integration

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Predicting drug side-effects by chemical systems biology

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Network neighbors of drug targets contribute to drug side-effect similarity

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Analysis of commercial and public bioactivity databases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Physicochemical and DMPK in silico models: facilitating their use by medicinal chemists

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

What does systems biology mean for drug development?

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Chemical informatics and target identification in a zebrafish phenotypic screen.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Relating protein pharmacology by ligand chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Bioinformatic analysis of xenobiotic reactive metabolite target proteins and their interacting partners

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Pathway analysis for drug repositioning based on public database mining

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Anti-cancer drug development: computational strategies to identify and target proteins involved in cancer metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Mitochondria and cell death: outer membrane permeabilization and beyond

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

KEGG: kyoto encyclopedia of genes and genomes

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Gene ontology: tool for the unification of biology

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

QuickGO: a web-based tool for Gene Ontology searching

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Identification of specific pluripotent stem cell death--inducing small molecules by chemical screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Open Babel: An open chemical toolbox

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

A quality alert and call for improved curation of public chemistry databases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Connecting small molecules to nuclear receptor pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Assessing quality and completeness of human transcriptional regulatory pathways on a genome-wide scale

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Consistency, comprehensiveness, and compatibility of pathway databases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

A systematic comparison of the MetaCyc and KEGG pathway databases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

PubChem: Integrated Platform of Small Molecules and Biological Activities

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

HMDB 3.0--The Human Metabolome Database in 2013

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

ZINC: a free tool to discover chemistry for biology

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

A chemocentric approach to the identification of cancer targets

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

NAD(P)H:quinone oxidoreductase 1 (NQO1) in the sensitivity and resistance to antitumor quinones

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Regulation of apoptosis-associated genes by histone deacetylase inhibitors: implications in cancer therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Proinflammatory role of vasopressin through V1b receptors in hapten-induced experimental colitis in rodents: implication in IBD.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Telomerase: central regulator of all of the hallmarks of cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Combination therapy targeting the Chk1 and Wee1 kinases shows therapeutic efficacy in neuroblastoma.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Searching in mother nature for anti-cancer activity: anti-proliferative and pro-apoptotic effect elicited by green barley on leukemia/lymphoma cells

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Phosphorylation of signal transducer and activator of transcription 1 reduces bortezomib-mediated apoptosis in cancer cells.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Drugging topoisomerases: lessons and challenges

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Cardiac glycosides in cancer therapy: from preclinical investigations towards clinical trials.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

The protein kinase complement of the human genome

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Targeting cancer with small molecule kinase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Immunity, Inflammation, and Cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Innate or adaptive immunity? The example of natural killer cells

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Insights into NK cell biology from human genetics and disease associations.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Receptors that interact with nectin and nectin-like proteins in the immunosurveillance and immunotherapy of cancer.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Therapeutic value of glycosaminoglycans in cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Binding with nucleic acids or glycosaminoglycans converts soluble protein oligomers to amyloid

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Therapeutic approaches to modulating Notch signaling: current challenges and future prospects.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Targeting the interleukin-6/Jak/stat pathway in human malignancies

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

JAK and STAT signaling molecules in immunoregulation and immune-mediated disease

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

T cell receptor signalling networks: branched, diversified and bounded

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

CTLs respond with activation and granule secretion when serving as targets for T-cell recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

To trim or not to trim: progression and control of DSB end resection

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

PI5KI-dependent signals are critical regulators of the cytolytic secretory pathway.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

The Language of Histone Crosstalk

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Centromeres: unique chromatin structures that drive chromosome segregation

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Finding the end: recruitment of telomerase to telomeres

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Pattern formation in centrosome assembly

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

DNA damage regulates alternative splicing through inhibition of RNA polymerase II elongation.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Quinacrine Inhibits Cell Growth and Induces Apoptosis in Human Gastric Cancer Cell Line SGC-7901.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Mitochondrial dysfunction caused by saturated fatty acid loading induces myocardial insulin-resistance in differentiated H9c2 myocytes: a novel ex vivo myocardial insulin-resistance model

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Screen for chemical modulators of autophagy reveals novel therapeutic inhibitors of mTORC1 signaling

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Lucanthone and its derivative hycanthone inhibit apurinic endonuclease-1 (APE1) by direct protein binding

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Numb protects renal proximal tubular cells from puromycin aminonucleoside-induced apoptosis through inhibiting Notch signaling pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Ellipticine induces apoptosis in human endometrial cancer cells: the potential involvement of reactive oxygen species and mitogen-activated protein kinases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Old drug, new target: ellipticines selectively inhibit RNA polymerase I transcription

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Inhibition of autophagy and induction of breast cancer cell death by mefloquine, an antimalarial agent

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Mefloquine neurotoxicity is mediated by non-receptor tyrosine kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Ursolic acid simultaneously targets multiple signaling pathways to suppress proliferation and induce apoptosis in colon cancer cells

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Tetrandrine induces apoptosis by activating reactive oxygen species and repressing Akt activity in human hepatocellular carcinoma

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

JNK activation is required for TNFα-induced apoptosis in human hepatocarcinoma cells.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Downregulation of FLIP by cycloheximide sensitizes human fat cells to CD95-induced apoptosis.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

α2-adrenergic receptors in spiral ganglion neurons may mediate protective effects of brimonidine and yohimbine against glutamate and hydrogen peroxide toxicity

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Yohimbine promotes cardiac NE release and prevents LPS-induced cardiac dysfunction via blockade of presynaptic α2A-adrenergic receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Cholinergic receptor pathways involved in apoptosis, cell proliferation and neuronal differentiation

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Stimulating healthy tissue regeneration by targeting the 5-HT₂B receptor in chronic liver disease

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Viability screen on pediatric low grade glioma cell lines unveils a novel anti-cancer drug of the steroid biosynthesis inhibitor family

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Novel roles for hERG K(+) channels in cell proliferation and apoptosis

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Pim kinases in cancer: diagnostic, prognostic and treatment opportunities

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

M2 receptor activation inhibits cell cycle progression and survival in human glioblastoma cells.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Mitochondrial ROS generation for regulation of autophagic pathways in cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Actin - a biosensor that determines cell fate in yeasts

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Bidirectional interactions between NOX2-type NADPH oxidase and the F-actin cytoskeleton in neuronal growth cones

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Small-molecule NOX inhibitors: ROS-generating NADPH oxidases as therapeutic targets

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

NADPH oxidase-derived ROS contributes to upregulation of TRPC6 expression in puromycin aminonucleoside-induced podocyte injury

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Local anesthetics, antipsychotic phenothiazines, and cationic surfactants shut down intracellular reactions through membrane perturbation in yeast

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Ezrin dephosphorylation/downregulation contributes to ursolic acid-mediated cell death in human leukemia cells

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

ERK and p38 MAP kinase are involved in downregulation of cell surface TNF receptor 1 induced by acetoxycycloheximide

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Ursolic acid inhibits proliferation and induces apoptosis of HT-29 colon cancer cells by inhibiting the EGFR/MAPK pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Landscape of EGFR signaling network in human cancers: biology and therapeutic response in relation to receptor subcellular locations

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

FER tyrosine kinase (FER) overexpression mediates resistance to quinacrine through EGF-dependent activation of NF-kappaB

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Apoptotic epidermal growth factor (EGF)-conjugated block copolymer micelles as a nanotechnology platform for targeted combination therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Effects of tetrandrine on glioma cell malignant phenotype via inhibition of ADAM17.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Akt, FoxO and regulation of apoptosis

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

9-Aminoacridine-based anticancer drugs target the PI3K/AKT/mTOR, NF-kappaB and p53 pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Ursolic acid induces apoptosis in human leukaemia cells and exhibits anti-leukaemic activity in nude mice through the PKB pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Governing epidermal homeostasis by coupling cell-cell adhesion to integrin and growth factor signaling, proliferation, and apoptosis

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Driving apoptosis-relevant proteins toward neural differentiation

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Calcium and cell death mechanisms: a perspective from the cell death community

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Anthraquinone emodin inhibits human cancer cell invasiveness by antagonizing P2X7 receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Data completeness—the Achilles heel of drug-target networks

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

Experimental validation of in silico target predictions on synergistic protein targets

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.137

21 January 2018

Identifiers

DOI

10.4155/FMC.14.137

1 reference

8 August 2017

1 reference