Predictive compound accumulation rules yield a broad-spectrum antibiotic

A Gestalt approach to Gram-negative entry

(2016) Lynn L. Silver   BIOORGANIC & MEDICINAL CHEMISTRY

The Free Energy of Small Solute Permeation through the Escherichia coli Outer Membrane Has a Distinctly Asymmetric Profile

(2016) Timothy S. Carpenter et al.   Journal of Physical Chemistry Letters

Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine

(2016) Alfredo Garcia et al.   ORGANIC LETTERS

Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors

(2016) Mélaine A. Kuenemann et al.   Scientific Reports

Thinking Outside the “Bug”: A Unique Assay To Measure Intracellular Drug Penetration in Gram-Negative Bacteria

(2015) Ying Zhou et al.   ANALYTICAL CHEMISTRY

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

ESKAPEing the labyrinth of antibacterial discovery

(2015) Ruben Tommasi et al.   NATURE REVIEWS DRUG DISCOVERY

Deoxynybomycins inhibit mutant DNA gyrase and rescue mice infected with fluoroquinolone-resistant bacteria

(2015) Elizabeth I. Parkinson et al.   Nature Communications

General Platform for Systematic Quantitative Evaluation of Small-Molecule Permeability in Bacteria

(2014) Tony D. Davis et al.   ACS Chemical Biology

Synthesis of Bridged Oxafenestranes from Pleuromutilin

(2014) Robert W. Hicklin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?

(2014) Mélaine A. Kuenemann et al.   Journal of Chemical Information and Modeling

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Trends and Exceptions of Physical Properties on Antibacterial Activity for Gram-Positive and Gram-Negative Pathogens

(2014) Dean G. Brown et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis of Complex and Diverse Compounds through Ring Distortion of Abietic Acid

(2013) Ryan J. Rafferty et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A ring-distortion strategy to construct stereochemically complex and structurally diverse compounds from natural products

(2013) Robert W. Huigens III et al.   Nature Chemistry

Platforms for antibiotic discovery

(2013) Kim Lewis   NATURE REVIEWS DRUG DISCOVERY

Curing bacteria of antibiotic resistance: reverse antibiotics, a novel class of antibiotics in nature

(2012) Keiichi Hiramatsu et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Influence of acquired  -lactamases on the evolution of spontaneous carbapenem resistance in Escherichia coli

(2012) M. Adler et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules

(2012) Nicholas C. Firth et al.   Journal of Chemical Information and Modeling

The Binding of Antibiotics in OmpF Porin

(2012) Brigitte K. Ziervogel et al.   STRUCTURE

Challenges of Antibacterial Discovery

(2011) L. L. Silver   CLINICAL MICROBIOLOGY REVIEWS

Bridging Timescales and Length Scales: From Macroscopic Flux to the Molecular Mechanism of Antibiotic Diffusion through Porins

(2010) Eric Hajjar et al.   BIOPHYSICAL JOURNAL

LowModeMD—Implicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops

(2010) Paul Labute   Journal of Chemical Information and Modeling

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

(2010) Madhavi Sastry et al.   Journal of Chemical Information and Modeling

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

(2010) Jeremy R. Greenwood et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Emergence of a new antibiotic resistance mechanism in India, Pakistan, and the UK: a molecular, biological, and epidemiological study

(2010) Karthikeyan K Kumarasamy et al.   LANCET INFECTIOUS DISEASES

Antibiotics for Emerging Pathogens

(2009) M. A. Fischbach et al.   SCIENCE

Development of a liquid chromatography/mass spectrometry-based drug accumulation assay in Pseudomonas aeruginosa

(2008) Hongliang Cai et al.   ANALYTICAL BIOCHEMISTRY

Bad Bugs, No Drugs: No ESKAPE! An Update from the Infectious Diseases Society of America

(2008) Helen W. Boucher et al.   CLINICAL INFECTIOUS DISEASES

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Physicochemical Properties of Antibacterial Compounds: Implications for Drug Discovery

(2008) Rosemarie O’Shea et al.   JOURNAL OF MEDICINAL CHEMISTRY