相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Structural prediction of antibody-APRIL complexes by computational docking constrained by antigen saturation mutagenesis library data
Andrew M. Wollacott et al.
JOURNAL OF MOLECULAR RECOGNITION (2019)
NPASS: natural product activity and species source database for natural product research, discovery and tool development
Xian Zeng et al.
NUCLEIC ACIDS RESEARCH (2018)
DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2018)
3D-QSAR and in-silico Studies of Natural Products and Related Derivatives as Monoamine Oxidase Inhibitors
Priyanka Dhiman et al.
CURRENT NEUROPHARMACOLOGY (2018)
Simulations meet machine learning in structural biology
Adria Perez et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2018)
Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery
Nicholas Ekow Thomford et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2018)
Contribution of NIH funding to new drug approvals 2010-2016
Ekaterina Galkina Cleary et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Na(V)1.7 as a Pharmacogenomic Target for Pain: Moving Toward Precision Medicine
Yang Yang et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2018)
Overview of Antibody Drug Delivery
Sahar Awwad et al.
PHARMACEUTICS (2018)
Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
Veronica Salmaso et al.
FRONTIERS IN PHARMACOLOGY (2018)
A review of connectivity map and computational approaches in pharmacogenomics
Aliyu Musa et al.
BRIEFINGS IN BIOINFORMATICS (2018)
Tissue-Specific Analysis of Pharmacological Pathways
Yun Hao et al.
CPT-PHARMACOMETRICS & SYSTEMS PHARMACOLOGY (2018)
A perspective on multi-target drug discovery and design for complex diseases
Rona R. Ramsay et al.
CLINICAL AND TRANSLATIONAL MEDICINE (2018)
ArachnoServer 3.0: an online resource for automated discovery, analysis and annotation of spider toxins
Sandy S. Pineda et al.
BIOINFORMATICS (2018)
Antibiotic Spider Silk: Site-Specific Functionalization of Recombinant Spider Silk Using Click Chemistry
David Harvey et al.
ADVANCED MATERIALS (2017)
The ChEMBL database in 2017
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2017)
KEGG: new perspectives on genomes, pathways, diseases and drugs
Minoru Kanehisa et al.
NUCLEIC ACIDS RESEARCH (2017)
Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure Activity Relationships Predictive Models
Milan Mladenovic et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
Alexandru Korotcov et al.
MOLECULAR PHARMACEUTICS (2017)
Medical Subject Heading (MeSH) annotations illuminate maize genetics and evolution
Timothy M. Beissinger et al.
PLANT METHODS (2017)
Comparative transcriptomics as a guide to natural product discovery and biosynthetic gene cluster functionality
Gregory C. A. Amos et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Translational Rodent Models for Research on Parasitic Protozoa-A Review of Confounders and Possibilities
Totta Ehret et al.
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY (2017)
The gene expression profiles in response to 102 traditional Chinese medicine (TCM) components: a general template for research on TCMs
Chao Lv et al.
SCIENTIFIC REPORTS (2017)
A Next Generation Connectivity Map: L1000 Platform and the First 1,000,000 Profiles
Aravind Subramanian et al.
CELL (2017)
3D deep convolutional neural networks for amino acid environment similarity analysis
Wen Torng et al.
BMC BIOINFORMATICS (2017)
The digital revolution in phenotyping
Anika Oellrich et al.
BRIEFINGS IN BIOINFORMATICS (2016)
Genome neighborhood network reveals insights into enediyne biosynthesis and facilitates prediction and prioritization for discovery
Jeffrey D. Rudolf et al.
JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY (2016)
The Reactome pathway Knowledgebase
Antonio Fabregat et al.
NUCLEIC ACIDS RESEARCH (2016)
Integrin-Targeting Knottin Peptide-Drug Conjugates Are Potent Inhibitors of Tumor Cell Proliferation
Nick Cox et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Predicting G protein-coupled receptor downstream signaling by tissue expression
Yun Hao et al.
BIOINFORMATICS (2016)
Sex Differences in Defensive Behavior and Venom of The Striped Bark Scorpion Centruroides vittatus (Scorpiones: Buthidae)
D. W. Miller et al.
INTEGRATIVE AND COMPARATIVE BIOLOGY (2016)
Natural product discovery: past, present, and future
Leonard Katz et al.
JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY (2016)
Natural Products as Sources of New Drugs from 1981 to 2014
David J. Newman et al.
JOURNAL OF NATURAL PRODUCTS (2016)
The coming of age of de novo protein design
Po-Ssu Huang et al.
NATURE (2016)
The antibody aducanumab reduces Aβ plaques in Alzheimer's disease
Jeff Sevigny et al.
NATURE (2016)
Counting on natural products for drug design
Tiago Rodrigues et al.
NATURE CHEMISTRY (2016)
A minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulin
John G. Menting et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2016)
A minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulin
John G. Menting et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2016)
New strategy for drug discovery by large-scale association analysis of molecular networks of different species
Bo Zhang et al.
SCIENTIFIC REPORTS (2016)
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL
Prudence Mutowo et al.
JOURNAL OF BIOMEDICAL SEMANTICS (2016)
Machine-learning approaches in drug discovery: methods and applications
Antonio Lavecchia
DRUG DISCOVERY TODAY (2015)
Adapting simultaneous analysis phylogenomic techniques to study complex disease gene relationships
Joseph D. Romano et al.
JOURNAL OF BIOMEDICAL INFORMATICS (2015)
Discovering New Acetylcholinesterase Inhibitors by Mining the Buzhongyiqi Decoction Recipe Data
Lu Cui et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
The $2.6 Billion Pill - Methodologic and Policy Considerations
Jerry Avorn
NEW ENGLAND JOURNAL OF MEDICINE (2015)
VenomKB, a new knowledge base for facilitating the validation of putative venom therapies
Joseph D. Romano et al.
SCIENTIFIC DATA (2015)
UPLC-MS/MS determination of ephedrine, methylephedrine, amygdalin and glycyrrhizic acid in Beagle plasma and its application to a pharmacokinetic study after oral administration of Ma Huang Tang
Tianhua Yan et al.
DRUG TESTING AND ANALYSIS (2015)
TMDB: A literature-curated database for small molecular compounds found from tea
Yi Yue et al.
BMC PLANT BIOLOGY (2014)
Data-driven medicinal chemistry in the era of big data
Scott J. Lusher et al.
DRUG DISCOVERY TODAY (2014)
QSAR Modeling: Where Have You Been? Where Are You Going To?
Artem Cherkasov et al.
JOURNAL OF MEDICINAL CHEMISTRY (2014)
Intraspecific venom variation in the medically significant Southern Pacific Rattlesnake (Crotalus oreganus helleri): Biodiscovery, clinical and evolutionary implications
Kartik Sunagar et al.
JOURNAL OF PROTEOMICS (2014)
Drugs derived from phage display From candidate identification to clinical practice
Andrew E. Nixon et al.
MABS (2014)
Functional Variability of Snake Venom Metalloproteinases: Adaptive Advantages in Targeting Different Prey and Implications for Human Envenomation
Juliana L. Bernardoni et al.
PLOS ONE (2014)
TCMSP: a database of systems pharmacology for drug discovery from herbal medicines
Jinlong Ru et al.
JOURNAL OF CHEMINFORMATICS (2014)
A gene expression signature-based approach reveals the mechanisms of action of the Chinese herbal medicine berberine
Kuen-Haur Lee et al.
SCIENTIFIC REPORTS (2014)
Omics Meets Biology: Application to the Design and Preclinical Assessment of Antivenoms
Juan J. Calvete et al.
TOXINS (2014)
Computational Methods in Drug Discovery
Gregory Sliwoski et al.
PHARMACOLOGICAL REVIEWS (2014)
Bapineuzumab and solanezumab for Alzheimer's disease: is the 'amyloid cascade hypothesis' still alive?
Haythum O. Tayeb et al.
EXPERT OPINION ON BIOLOGICAL THERAPY (2013)
A graph-based recovery and decomposition of Swanson's hypothesis using semantic predications
Delroy Cameron et al.
JOURNAL OF BIOMEDICAL INFORMATICS (2013)
Methods and dimensions of electronic health record data quality assessment: enabling reuse for clinical research
Nicole Gray Weiskopf et al.
JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION (2013)
Predicting function from sequence in a large multifunctional toxin family
Anita Malhotra et al.
TOXICON (2013)
Complex cocktails: the evolutionary novelty of venoms
Nicholas R. Casewell et al.
TRENDS IN ECOLOGY & EVOLUTION (2013)
Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
Tiejun Cheng et al.
AAPS JOURNAL (2012)
Can phylogeny predict chemical diversity and potential medicinal activity of plants? A case study of amaryllidaceae
Nina Ronsted et al.
BMC EVOLUTIONARY BIOLOGY (2012)
Translational Bioinformatics: Data-driven Drug Discovery and Development
A. J. Butte et al.
CLINICAL PHARMACOLOGY & THERAPEUTICS (2012)
Homology Modeling a Fast Tool for Drug Discovery: Current Perspectives
V. K. Vyas et al.
INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES (2012)
Effect of the smell of Seirogan, a wood creosote, on dermal and intestinal mucosal immunity and allergic inflammation
Keiichi Hiramoto et al.
JOURNAL OF CLINICAL BIOCHEMISTRY AND NUTRITION (2012)
Using Electronic Health Care Records for Drug Safety Signal Detection A Comparative Evaluation of Statistical Methods
Martijn J. Schuemie et al.
MEDICAL CARE (2012)
ConoServer: updated content, knowledge, and discovery tools in the conopeptide database
Quentin Kaas et al.
NUCLEIC ACIDS RESEARCH (2012)
Data-Driven Prediction of Drug Effects and Interactions
Nicholas P. Tatonetti et al.
SCIENCE TRANSLATIONAL MEDICINE (2012)
The UniProtKB/Swiss-Prot Tox-Prot program: A central hub of integrated venom protein data
Florence Jungo et al.
TOXICON (2012)
A Historical Overview of Natural Products in Drug Discovery
Daniel A. Dias et al.
METABOLITES (2012)
Toward defining the preclinical stages of Alzheimer's disease: Recommendations from the National Institute on Aging-Alzheimer's Association workgroups on diagnostic guidelines for Alzheimer's disease
Reisa A. Sperling et al.
ALZHEIMERS & DEMENTIA (2011)
The eMERGE Network: A consortium of biorepositories linked to electronic medical records data for conducting genomic studies
Catherine A. McCarty et al.
BMC MEDICAL GENOMICS (2011)
Principles of early drug discovery
J. P. Hughes et al.
BRITISH JOURNAL OF PHARMACOLOGY (2011)
coral Software: QSAR for Anticancer Agents
Emilio Benfenati et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2011)
The Emerging Role of Electronic Medical Records in Pharmacogenomics
R. A. Wilke et al.
CLINICAL PHARMACOLOGY & THERAPEUTICS (2011)
Electronic health records: Implications for drug discovery
Lixia Yao et al.
DRUG DISCOVERY TODAY (2011)
Comparison of automated and human assignment of MeSH terms on publicly-available molecular datasets
David Ruau et al.
JOURNAL OF BIOMEDICAL INFORMATICS (2011)
Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields
Paolo Tosco et al.
JOURNAL OF MOLECULAR MODELING (2011)
Computational Repositioning of the Anticonvulsant Topiramate for Inflammatory Bowel Disease
Joel T. Dudley et al.
SCIENCE TRANSLATIONAL MEDICINE (2011)
Discovery and Preclinical Validation of Drug Indications Using Compendia of Public Gene Expression Data
Marina Sirota et al.
SCIENCE TRANSLATIONAL MEDICINE (2011)
Molecular docking for virtual screening of natural product databases
Dik-Lung Ma et al.
CHEMICAL SCIENCE (2011)
Molecular targets of phytochemicals for cancer prevention
Ki Won Lee et al.
NATURE REVIEWS CANCER (2011)
Monoclonal antibody TGN1412 trial failure explained by species differences in CD28 expression on CD4+ effector memory T-cells
D. Eastwood et al.
BRITISH JOURNAL OF PHARMACOLOGY (2010)
Privileged scaffolds for library design and drug discovery
Matthew E. Welsch et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2010)
Ontologies of Drug Discovery and Design for Neurology, Cardiology and Oncology
Jose M. Vazquez-Naya et al.
CURRENT PHARMACEUTICAL DESIGN (2010)
PubChem as a public resource for drug discovery
Qingliang Li et al.
DRUG DISCOVERY TODAY (2010)
Recombinant Spider Silk Proteins for Applications in Biomaterials
Kristina Spiess et al.
MACROMOLECULAR BIOSCIENCE (2010)
Biobanking and pharmacogenomics
Catherine A. McCarty et al.
PHARMACOGENOMICS (2010)
Cholinesterase inhibitory activities of some flavonoid derivatives and chosen xanthone and their molecular docking studies
Mahmud Tareq Hassan Khan et al.
CHEMICO-BIOLOGICAL INTERACTIONS (2009)
Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions
Jaroslaw Polanski
CURRENT MEDICINAL CHEMISTRY (2009)
Molecular Docking Studies and Anti-Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract
Pimolpan Pithayanukul et al.
MOLECULES (2009)
Lessons from 60 years of pharmaceutical innovation
Bernard Munos
NATURE REVIEWS DRUG DISCOVERY (2009)
Mapping complex disease traits with global gene expression
William Cookson et al.
NATURE REVIEWS GENETICS (2009)
Toward high-resolution homology modeling of antibody Fv regions and application to anti body-antigen docking
Arvind Sivasubramanian et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2009)
Discovery of agents that eradicate leukemia stem cells using an in silico screen of public gene expression data
Duane C. Hassane et al.
BLOOD (2008)
The FEATURE framework for protein function annotation: modelling new functions, improving performance, and extending to novel applications
Inbal Halperin et al.
BMC GENOMICS (2008)
Natural products in drug discovery
Alan L. Harvey
DRUG DISCOVERY TODAY (2008)
The paradox of model organisms - The use of model organisms in research will continue despite their shortcomings
Philip Hunter
EMBO REPORTS (2008)
Using gene expression to investigate the genetic basis of complex disorders
Alexandra C. Nica et al.
HUMAN MOLECULAR GENETICS (2008)
Ultra-performance LC/TOF MS analysis of medicinal Panax herbs for metabolomic research
Guoxiang Xie et al.
JOURNAL OF SEPARATION SCIENCE (2008)
Jadomycin B, an Aurora-B kinase inhibitor discovered through virtual screening
Da-Hua Fu et al.
MOLECULAR CANCER THERAPEUTICS (2008)
Drugs, industry, and academia
Garret A. FitzGerald
SCIENCE (2008)
ATDB: a uni-database platform for animal toxins
Quan-Yuan He et al.
NUCLEIC ACIDS RESEARCH (2008)
Phytochemicals: The good, the bad and the ugly?
Russell J. Molyneux et al.
PHYTOCHEMISTRY (2007)
Probing genetic overlap among complex human phenotypes
Andrey Rzhetsky et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
QSAR of multiple mutated antibodies
Ilona Mandrika et al.
JOURNAL OF MOLECULAR RECOGNITION (2007)
Gene expression signature-based chemical genomic prediction identifies a novel class of HSP90 pathway modulators
Haley Hieronymus et al.
CANCER CELL (2006)
A pilot study of hormone modulation as a new treatment for mania in women with bipolar affective disorder
J Kulkarni et al.
PSYCHONEUROENDOCRINOLOGY (2006)
Identification of ellagic acid as potent inhibitor of protein kinase CK2: A successful example of a virtual screening application
G Cozza et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
SuperNatural: a searchable database of available natural compounds
Mathias Dunkel et al.
NUCLEIC ACIDS RESEARCH (2006)
Overview of scorpion toxins specific for Na+ channels and related peptides:: biodiversity, structure-function relationships and evolution
RCR de la Vega et al.
TOXICON (2005)
Finding new drug targets in the 21st century
MA Lindsay
DRUG DISCOVERY TODAY (2005)
Phenotypic taxonomy and metabolite profiling in microbial drug discovery
TO Larsen et al.
NATURAL PRODUCT REPORTS (2005)
Selecting and screening recombinant antibody libraries
HR Hoogenboom
NATURE BIOTECHNOLOGY (2005)
Monoclonal antibody therapy of cancer
GP Adams et al.
NATURE BIOTECHNOLOGY (2005)
Key factors in the rising cost of new drug discovery and development
M Dickson et al.
NATURE REVIEWS DRUG DISCOVERY (2004)
The many roles of computation in drug discovery
WL Jorgensen
SCIENCE (2004)
Cancer immunotherapy: moving beyond current vaccines
SA Rosenberg et al.
NATURE MEDICINE (2004)
Drug repositioning: Identifying and developing new uses for existing drugs
TT Ashburn et al.
NATURE REVIEWS DRUG DISCOVERY (2004)
4-1BB-mediated immunotherapy of rheumatoid arthritis
SK Seo et al.
NATURE MEDICINE (2004)
Rediscovering the sweet spot in drug discovery
D Brown et al.
DRUG DISCOVERY TODAY (2003)
Therapeutic potential of venom peptides
RJ Lewis et al.
NATURE REVIEWS DRUG DISCOVERY (2003)
Immunopathogenesis and immunotherapy in AIDS virus infections
NL Letvin et al.
NATURE MEDICINE (2003)
Clinical biomarkers in drug discovery and development
R Frank et al.
NATURE REVIEWS DRUG DISCOVERY (2003)
Antibodies against β-amyloid slow cognitive decline in Alzheimer's disease
C Hock et al.
NEURON (2003)
Link rot limits the usefulness of web-based educational materials in biochemistry and molecular biology
J Markwell et al.
BIOCHEMISTRY AND MOLECULAR BIOLOGY EDUCATION (2003)
Solution-phase parallel synthesis of a pharmacophore library of HUN-7293 analogues: A general chemical mutagenesis approach to defining structure-function properties of naturally occurring cyclic (depsi)peptides
Y Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
High-throughput docking for lead generation
R Abagyan et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2001)
Biodiversity and drug discovery - a symbiotic relationship
GA Cordell
PHYTOCHEMISTRY (2000)
Peripherally administered antibodies against amyloid β-peptide enter the central nervous system and reduce pathology in a mouse model of Alzheimer disease
F Bard et al.
NATURE MEDICINE (2000)