4.6 Article

AutoClickChem: Click Chemistry in Silico

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。
Article Biochemical Research Methods

HBonanza: A computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis

Jacob D. Durrant et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2011)

Article Biochemical Research Methods

POVME: An algorithm for measuring binding-pocket volumes

Jacob D. Durrant et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2011)

Article Biochemical Research Methods

BINANA: A novel algorithm for ligand-binding characterization

Jacob D. Durrant et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2011)

Review Chemistry, Multidisciplinary

Outstanding challenges in protein-ligand docking and structure-based virtual screening

Bohdan Waszkowycz et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

Review Chemistry, Medicinal

Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic

Tanaji T. Talele et al.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2010)

Article Chemistry, Medicinal

NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein-Ligand Complexes

Jacob D. Durrant et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Article Medicine, General & Internal

Integration of Small-Molecule Discovery in Academic Biomedical Research

Michael Ohlmeyer et al.

MOUNT SINAI JOURNAL OF MEDICINE (2010)

Article Biochemistry & Molecular Biology

Opal web services for biomedical applications

Jingyuan Ren et al.

NUCLEIC ACIDS RESEARCH (2010)

Article Infectious Diseases

Novel Naphthalene-Based Inhibitors of Trypanosoma brucei RNA Editing Ligase 1

Jacob D. Durrant et al.

PLOS NEGLECTED TROPICAL DISEASES (2010)

Article Biochemistry & Molecular Biology

AutoGrow: A Novel Algorithm for Protein Inhibitor Design

Jacob D. Durrant et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2009)

Editorial Material Chemistry, Medicinal

The emerging academic drug-discovery sector

Paul G. Wyatt

FUTURE MEDICINAL CHEMISTRY (2009)

Article Chemistry, Medicinal

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

Jason B. Cross et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)

Article Multidisciplinary Sciences

Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei

Rommie E. Amaro et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)

Article Chemistry, Medicinal

Generation of molecular graphs for QSAR studies: An approach based on supergraphs

Andrey A. Melnikov et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)

Article Chemistry, Medicinal

SmiLib v2.0:: A Java-based tool for rapid combinatorial library enumeration

Andreas Schueller et al.

QSAR & COMBINATORIAL SCIENCE (2007)

Article Chemistry, Medicinal

Syntheses of triazole-modified zanamivir analogues via click chemistry and anti-AIV activities

Jian Li et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)

Article Chemistry, Medicinal

Blue Obelisk - Interoperability in chemical informatics

Rajarshi Guha et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)

Article Chemistry, Medicinal

1,2,3,4-tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors

SR Klopfenstein et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)

Article Chemistry, Multidisciplinary

Potent, selective pyrone-based inhibitors of stromelysin-1

DT Puerta et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Review Biotechnology & Applied Microbiology

Computer-based de novo design of drug-like molecules

G Schneider et al.

NATURE REVIEWS DRUG DISCOVERY (2005)

Article Chemistry, Multidisciplinary

In situ selection of lead compounds by click chemistry: Target-guided optimization of acetylcholinesterase inhibitors

A Krasinski et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Multidisciplinary

In situ click chemistry: Enzyme-generated inhibitors of carbonic anhydrase II

VP Mocharla et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)

Article Multidisciplinary Sciences

Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation

Y Bourne et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)

Review Biotechnology & Applied Microbiology

Docking and scoring in virtual screening for drug discovery: Methods and applications

DB Kitchen et al.

NATURE REVIEWS DRUG DISCOVERY (2004)

Article Chemistry, Multidisciplinary

In situ click chemistry: Enzyme inhibitors made to their own specifications

R Manetsch et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Review Pharmacology & Pharmacy

The growing impact of click chemistry on drug discovery

HC Kolb et al.

DRUG DISCOVERY TODAY (2003)

Article Chemistry, Multidisciplinary

A potent and highly selective inhibitor of human α-1,3-fucosyltransferase via click chemistry

LV Lee et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)