Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking study

Applications of Fluorine in Medicinal Chemistry

(2015) Eric P. Gillis et al.   JOURNAL OF MEDICINAL CHEMISTRY

Marine Natural Products as Acetylcholinesterase Inhibitor: Comparative Quantum Mechanics and Molecular Docking Study

(2014) Maryam Farrokhnia et al.   Current Computer-Aided Drug Design

Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features

(2013) Anton Lishchynskyi et al.   JOURNAL OF ORGANIC CHEMISTRY

Amplified Halogen Bonding in a Small Space

(2013) Mohammed G. Sarwar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Plugging the explicit σ-holes in molecular docking

(2012) Michal Kolář et al.   CHEMICAL COMMUNICATIONS

Halogen bonding for rational drug design and new drug discovery

(2012) Yunxiang Lu et al.   Expert Opinion on Drug Discovery

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

(2012) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

(2012) Rainer Wilcken et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rethinking the term “pi-stacking”

(2012) Chelsea R. Martinez et al.   Chemical Science

CHOLINESTERASES, A TARGET OF PHARMACOLOGY AND TOXICOLOGY

(2011) Miroslav Pohanka   BIOMEDICAL PAPERS-OLOMOUC

A Novel Approach for Predicting P-Glycoprotein (ABCB1) Inhibition Using Molecular Interaction Fields

(2011) Fabio Broccatelli et al.   JOURNAL OF MEDICINAL CHEMISTRY

Catalysis for fluorination and trifluoromethylation

(2011) Takeru Furuya et al.   NATURE

Innate C-H trifluoromethylation of heterocycles

(2011) Y. Ji et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Trifluoromethylation of aryl and heteroaryl halides

(2011) Sudipta Roy et al.   TETRAHEDRON

Estimation of ADME Properties with Substructure Pattern Recognition

(2010) Jie Shen et al.   Journal of Chemical Information and Modeling

Accumulation of Tetrahedral Intermediates in Cholinesterase Catalysis: A Secondary Isotope Effect Study

(2010) Jose R. Tormos et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New potential AChE inhibitor candidates

(2009) A.A.N. de Paula et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Fluorine Bonding — How Does It Work In Protein−Ligand Interactions?

(2009) Peng Zhou et al.   Journal of Chemical Information and Modeling

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Halogen BondingA Novel Interaction for Rational Drug Design?

(2009) Yunxiang Lu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Flexibility of Aromatic Residues in the Active-Site Gorge of Acetylcholinesterase: X-ray versus Molecular Dynamics

(2008) Yechun Xu et al.   BIOPHYSICAL JOURNAL

Theoretical study of classical acetylcholinesterase inhibitors

(2008) Érica C.M. Nascimento et al.   CHEMICAL PHYSICS LETTERS

Novel Donepezil-Based Inhibitors of Acetyl- and Butyrylcholinesterase and Acetylcholinesterase-Induced β-Amyloid Aggregation

(2008) Pelayo Camps et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Many Roles for Fluorine in Medicinal Chemistry

(2008) William K. Hagmann   JOURNAL OF MEDICINAL CHEMISTRY