Nathan Brown

发表

Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening

S. Knapp, O. Fedorov, P. Filippakopoulos, 2013, Journal of medicinal chemistry.

Clustering and Rule‐Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.

Paul M. Selzer, Jeremy L. Jenkins, Peter Ertl, 2007 .

Synthesis and Evaluation of a 2,11‐Cembranoid‐Inspired Library

J. Caldwell, F. Raynaud, S. Eccles, 2016, Chemistry.

Scaffold Diversity in Medicinal Chemistry Space

Sarah R. Langdon, Julian Blagg, J. Blagg, 2013 .

Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor

Nathan Brown, Julian Blagg, Paul Workman, 2018, Molecular oncology.

Privileged Structures and Polypharmacology within and between Protein Families

R. V. van Montfort, P. Workman, Y. Le Bihan, 2018, ACS medicinal chemistry letters.

Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).

S. Robinson, R. V. van Montfort, M. Lamers, 2016, Journal of medicinal chemistry.

Molecular Interaction Fields for Predicting the Sites and Products of Metabolism

F. Broccatelli, Nathan Brown, 2014 .

Optimization of imidazo [4, 5-b] pyridine-based kinase inhibitors: identification of a dual FLT3/aur

Gary Box, Nathan Brown, Julian Blagg, 2012 .

Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-b]pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells

P. Workman, A. Faisal, K. Boxall, 2013, Journal of medicinal chemistry.

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

Peter Ertl, Sarah R. Langdon, Nathan Brown, 2010, Molecular informatics.

On the origins of three-dimensionality in drug-like molecules.

Nathan Brown, Joshua Meyers, Michael Carter, 2016, Future medicinal chemistry.

Fragment-based hit identification: thinking in 3D.

Nathan Brown, Steven V Ley, Kristian Birchall, 2013, Drug discovery today.

Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.

A. Faisal, R. Bayliss, Chongbo Sun, 2010, Bioorganic & medicinal chemistry letters.

Artificial intelligence in chemistry and drug design

Peter Ertl, Nathan Brown, Daniel Reker, 2020, Journal of Computer-Aided Molecular Design.

Scaffold Diversity of Exemplified Medicinal Chemistry Space

Sarah R. Langdon, Nathan Brown, Julian Blagg, 2011, J. Chem. Inf. Model..

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space

Jeremy L. Jenkins, Peter Ertl, Nathan Brown, 2007, J. Chem. Inf. Model..

Evaluation of Germline BMP4 Mutation as a Cause of Colorectal Cancer

Nathan Brown, Julian Blagg, Richard S Houlston, 2011, Human mutation.

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity

Peter Ertl, Nathan Brown, Edgar Jacoby, 2006, J. Chem. Inf. Model..

Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2

Ian Collins, Isaac M. Westwood, Nathan Brown, 2013, PloS one.

Structural Basis of Poly(ADP-ribose) Recognition by the Multizinc Binding Domain of Checkpoint with Forkhead-associated and RING Domains (CHFR)*

R. Bayliss, J. Blagg, Nathan Brown, 2010, The Journal of Biological Chemistry.

On scaffolds and hopping in medicinal chemistry.

Nathan Brown, Edgar Jacoby, E. Jacoby, 2006, Mini reviews in medicinal chemistry.

A novel workflow for the inverse QSPR problem using multiobjective optimization

Johann Gasteiger, Nathan Brown, Ben McKay, 2006, J. Comput. Aided Mol. Des..

The de novo design of median molecules within a property range of interest

Johann Gasteiger, Nathan Brown, Ben McKay, 2004, J. Comput. Aided Mol. Des..

Mapping the 3D structures of small molecule binding sites

Nathan Brown, Julian Blagg, Joshua Meyers, 2016, Journal of Cheminformatics.

Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors

Sarah R. Langdon, Isaac M. Westwood, Rob L. M. van Montfort, 2013, J. Chem. Inf. Model..

Bioisosteres in Medicinal Chemistry: BROWN:BIOISOSTERES MED CH O-BK

Nathan Brown, Nathan Brown, 2012 .

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

Nathan Brown, Julian Blagg, Nicholas C. Firth, 2012, J. Chem. Inf. Model..

Multi-objective optimization methods in drug design.

Nathan Brown, Christos A Nicolaou, Nathan Brown, 2013, Drug discovery today. Technologies.

A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules

Johann Gasteiger, Nathan Brown, François Gilardoni, 2004, J. Chem. Inf. Model..

Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening

Nathan Brown, Ruth Brenk, N. Yi Mok, 2014, J. Chem. Inf. Model..

Druggability Analysis and Structural Classification of Bromodomain Acetyl-lysine Binding Sites

Nathan Brown, Lewis R. Vidler, Stefan Knapp, 2012, Journal of medicinal chemistry.

A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules.

Johann Gasteiger, Nathan Brown, François Gilardoni, 2004 .

MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation

Nathan Brown, Julian Blagg, Nicholas C. Firth, 2015, J. Chem. Inf. Model..

Knowledge-based virtual screening: application to the MDM4/p53 protein-protein interaction.

Nathan Brown, Edgar Jacoby, Caroline Engeloch, 2009, Methods in molecular biology.

Best of Both Worlds: On the Complementarity of Ligand-Based and Structure-Based Virtual Screening

Nathan Brown, Fabio Broccatelli, F. Broccatelli, 2014, J. Chem. Inf. Model..

Aurora Isoform Selectivity: Design and Synthesis of Imidazo [4, 5-b] pyridine Derivatives as Highly

A. Faisal, K. Boxall, Nathan Brown, 2013 .

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

Sarah R. Langdon, P. Ertl, Nathan Brown, 2010, Molecular informatics.

Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure–Activity Relationship Information

Nathan Brown, N. Mok, 2016, J. Chem. Inf. Model..

Bioisosteres in De Novo Design

Julian Blagg, Nicholas C. Firth, Nathan J. Brown, 2013 .

1 Bioisosterism in Medicinal Chemistry

Nathan Brown, 2012 .

Molecular optimization using computational multi-objective methods.

Nathan Brown, Constantinos S Pattichis, Christos A Nicolaou, 2007, Current opinion in drug discovery & development.

R. V. van Montfort, K. Boxall, G. Aherne, 2016, Journal of medicinal chemistry.