J. Manchester

发表

A New Mechanistic Probe for Cytochrome P450: An Application of Isotope Effect Profiles

Jeffrey P. Jones, J. Manchester, J. P. Dinnocenzo, 1997 .

Using molecular modeling and molecular dynamics simulation to predict P450 oxidation products.

R. Ornstein, J. Manchester, M. Paulsen, 1996, Methods in enzymology.

1,1,1-Trichloroethane-bound cytochrome P450cam dynamics. Does active site water make a difference?

R. Ornstein, R. Rein, J. Manchester, 1996 .

Structure‐Based Design of Selective Noncovalent CDK12 Inhibitors

Toan B. Nguyen, M. Haddrick, A. Ferguson, 2018, ChemMedChem.

Toward the rational design of carbapenem uptake in Pseudomonas aeruginosa.

R. Tommasi, J. Manchester, Arthur J. Campbell, 2015, Chemistry & biology.

Evaluation of K-Ras4B dimer interfaces and the role of Raf effectors

Z. Cournia, S. Doerr, J. Duca, 2022, bioRxiv.

ESKAPEing the labyrinth of antibacterial discovery

Dean G. Brown, R. Tommasi, J. Manchester, 2015, Nature Reviews Drug Discovery.

ESKAPEing the labyrinth of antibacterial discovery

Dean G. Brown, R. Tommasi, J. Manchester, 2015, Nature Reviews Drug Discovery.

Novel topoisomerase inhibitors: microbiological characterisation and in vivo efficacy of pyrimidines.

K. Hull, J. Manchester, M. Uría-Nickelsen, 2013, International journal of antimicrobial agents.

Optimization of pyrrolamide topoisomerase II inhibitors toward identification of an antibacterial clinical candidate (AZD5099).

G. Basarab, A. Eakin, C. Garner, 2014, Journal of medicinal chemistry.

A New-Class Antibacterial-Almost. Lessons in Drug Discovery and Development: A Critical Analysis of More than 50 Years of Effort toward ATPase Inhibitors of DNA Gyrase and Topoisomerase IV.

J. Manchester, G. Bisacchi, 2015, ACS infectious diseases.

Antimicrobial Activity of Adenine-Based Inhibitors of NAD(+)-Dependent DNA Ligase.

Ce-Feng Liu, J. Manchester, E. Buurman, 2012, ACS medicinal chemistry letters.

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments.

Z. Cournia, J. Duca, Camilo Velez-Vega, 2021, Journal of chemical theory and computation.

Identification of genomic regions that interact with a viable allele of the Drosophila protein tyrosine phosphatase corkscrew.

L. Perkins, J. Manchester, M. Baron, 2000, Genetics.

Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability.

Z. Cournia, S. Doerr, J. Duca, 2021, The journal of physical chemistry. B.

"That remains largely the realm of medicinal chemistry and one could, therefore, argue that the future of human health as we know it, depends upon us."

J. Manchester, 2013 .

A fresh start in the hunt for novel antibacterials.

J. Manchester, 2013, Future medicinal chemistry.

Fragment-to-hit-to-lead discovery of a novel pyridylurea scaffold of ATP competitive dual targeting type II topoisomerase inhibiting antibacterial agents.

G. Basarab, A. Eakin, P. Boriack-Sjodin, 2013, Journal of medicinal chemistry.

Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.

Shi Hua Ang, G. Basarab, A. Poulsen, 2018, European journal of medicinal chemistry.

Investigation of domain motions in bacteriophage T4 lysozyme.

R. Ornstein, G. Arnold, J. Manchester, 1994, Journal of biomolecular structure & dynamics.

Use of Intramolecular 1,5-Sulfur-Oxygen and 1,5-Sulfur-Halogen Interactions in the Design of N-Methyl-5-aryl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine SMN2 Splicing Modulators.

D. Chin, L. Hamann, K. Briner, 2021, Journal of medicinal chemistry.

Molecular determinants of AcrB-mediated bacterial efflux implications for drug discovery.

J. Manchester, R. Mclaughlin, G. Bisacchi, 2012, Journal of medicinal chemistry.

Rational approach to improving reductive catalysis by cytochrome P450cam.

R. Ornstein, J. Manchester, 1996, Biochimie.

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks

Gianni De Fabritiis, Gerard Martínez-Rosell, Davide Sabbadin, 2018, J. Chem. Inf. Model..

Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.

P. Boriack-Sjodin, K. Hull, J. Manchester, 2012, Bioorganic & medicinal chemistry letters.

Evaluation of pKa Estimation Methods on 211 Druglike Compounds

John Manchester, Grant Walkup, Olga Rivin, 2010, J. Chem. Inf. Model..

Modeling study on the cleavage step of the self-splicing reaction in group I introns.

R. Ornstein, R. Rein, R. Garduño-Juárez, 1993, Journal of biomolecular structure & dynamics.

Calculation of atom-centered partial charges for heme

R. Ornstein, J. Manchester, M. Paulsen, 1995 .

Evolution of Novartis' Small Molecule Screening Deck Design.

A. Schuffenhauer, Eugen Lounkine, N. Stiefl, 2020, Journal of medicinal chemistry.

Active site mutations of cytochrome p450cam alter the binding, coupling, and oxidation of the foreign substrates (R)- and (s)-2-ethylhexanol.

Jeffrey P. Jones, D. Rock, J. Manchester, 2002, Archives of biochemistry and biophysics.