Paul N. Mortenson

发表

Assessing the lipophilicity of fragments and early hits

Christopher W. Murray, Paul N. Mortenson, C. Murray, 2011, J. Comput. Aided Mol. Des..

Protein-Ligand Docking against Non-Native Protein Conformers

Richard J. Hall, Marcel L. Verdonk, Christopher W. Murray, 2008, J. Chem. Inf. Model..

ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields

Jonathan W. Essex, Marcel L. Verdonk, Chris-Kriton Skylaris, 2021, J. Chem. Inf. Model..

Diverse, high-quality test set for the validation of protein-ligand docking performance.

Paul N. Mortenson, C. Murray, M. Verdonk, 2007, Journal of medicinal chemistry.

Efficient exploration of chemical space by fragment-based screening.

Christopher W Murray, Richard J. Hall, Paul N. Mortenson, 2014, Progress in biophysics and molecular biology.

Predicting "Hot" and "Warm" Spots for Fragment Binding.

Christopher W Murray, Richard J. Hall, Marcel L Verdonk, 2017, Journal of medicinal chemistry.

Energy landscapes of model polyalanines

David J. Wales, Paul N. Mortenson, D. Wales, 2002 .

Fragment-based approaches to the discovery of kinase inhibitors.

Paul N. Mortenson, V. Berdini, M. O’Reilly, 2014, Methods in enzymology.

Identification of orally bioavailable small-molecule inhibitors of hematopoietic prostaglandin D2 synthase using X-ray fragment based drug discovery

Paul N. Mortenson, Melanie V. Leveridge, S. Teague, 2014 .

Energy landscapes, global optimization and dynamics of the polyalanine Ac(ala)8NHMe

David J. Wales, Paul N. Mortenson, D. Wales, 2001 .

Protein-Ligand Docking against Non-Native Protein Conformers

Marcel L. Verdonk, Michael J. Hartshorn, Richard J. Hall, 2008, J. Chem. Inf. Model..

Crystals of binary Lennard-Jones solids

David J. Wales, Paul N. Mortenson, D. Wales, 2001 .

Docking performance of fragments and druglike compounds.

Richard J. Hall, Paul N. Mortenson, C. Murray, 2011, Journal of medicinal chemistry.

Fragment-to-Lead Medicinal Chemistry Publications in 2016.

Paul N. Mortenson, W. Jahnke, Christopher N. Johnson, 2017, Journal of medicinal chemistry.

Allosteric Inhibition of the Neuropeptidase Neurolysin*

Paul N. Mortenson, J. Lange, C. Kruse, 2014, The Journal of Biological Chemistry.

Discovery of 2-(6-{[(6-fluoroquinolin-2-yl)methyl]amino}bicyclo[3.1.0]hex-3-yl)-N-hydroxypyrimidine-5-carboxamide (CHR-3996), a class I selective orally active histone deacetylase inhibitor.

Paul N. Mortenson, W. Aherne, F. Raynaud, 2010, Journal of medicinal chemistry.

C–H functionalisation tolerant to polar groups could transform fragment-based drug discovery (FBDD)

Paul N. Mortenson, G. Chessari, R. S. Holvey, 2021, Chemical science.

Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening.

Pedro M Alzari, Richard A Bryce, Paul N. Mortenson, 2009, Bioorganic & medicinal chemistry letters.

DNA gyrase (GyrB)/topoisomerase IV (ParE) inhibitors: synthesis and antibacterial activity.

Paul N. Mortenson, L. Czaplewski, C. Smee, 2009, Bioorganic & medicinal chemistry letters.

Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.

Christopher W Murray, Paul N. Mortenson, Valerio Berdini, 2015, ACS medicinal chemistry letters.

Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.

Paul N. Mortenson, M. Congreve, R. Cheng, 2012, ACS medicinal chemistry letters.

Fragment-to-Lead Medicinal Chemistry Publications in 2018.

Paul N. Mortenson, W. Jahnke, I. D. de Esch, 2020, Journal of medicinal chemistry.

Energy landscapes: from clusters to biomolecules

Paul N. Mortenson, J. Doye, Mark A. Miller, 2007 .

Fragment-to-Lead Medicinal Chemistry Publications in 2019.

Paul N. Mortenson, W. Jahnke, I. D. de Esch, 2020, Journal of medicinal chemistry.

Fragment-based discovery of 6-azaindazoles as inhibitors of bacterial DNA ligase.

Paul N. Mortenson, E. Chiarparin, T. Heightman, 2014, ACS medicinal chemistry letters.

The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.

Paul N. Mortenson, D. J. Price, L. Shewchuk, 2020, Bioorganic & medicinal chemistry.

Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.

Paul N. Mortenson, W. Rumsey, H. Willems, 2019, Journal of medicinal chemistry.

Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins

Paul N. Mortenson, J. Essex, J. Nissink, 2023, J. Chem. Inf. Model..

Generation of Quantum Configurational Ensembles Using Approximate Potentials.

Paul N. Mortenson, M. Verdonk, J. Essex, 2021, Journal of chemical theory and computation.

The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.

I. E. Smith, Paul N. Mortenson, D. J. Price, 2019, Bioorganic & medicinal chemistry.

Fragment-to-Lead Medicinal Chemistry Publications in 2017.

Paul N. Mortenson, W. Jahnke, I. D. de Esch, 2018, Journal of medicinal chemistry.

Newborn Rat Nucleus Basalis Neurons Channels in Cultured 2+ High-Voltage-Activated Ca Neurotensin and Substance P Inhibit Low- and

Paul N. Mortenson, J. Lange, K. Koyano, 2015 .

ParaMol: A Package for Parametrization of Molecular Mechanics Force Fields

Paul N. Mortenson, M. Verdonk, J. Essex, 2021 .