Nathan Brown

发表

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..

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

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

Numerical investigation of the energy performance of an Opaque Ventilated Façade system employing a smart modular heat recovery unit and a latent heat thermal energy system

Theodoros Theodosiou, Xudong Zhao, Nathan Brown, 2017 .

Moving targets in drug discovery

Barbara Zdrazil, Rajarshi Guha, Nathan Brown, 2020, Scientific Reports.

Hierarchical fault classification for resource constrained systems

Stephen C. Adams, Peter A. Beling, Kevin Farinholt, 2019 .

Rigidly Foldable Thick Origami Using Designed-Offset Linkages

Larry L. Howell, Robert J. Lang, Nathan Brown, 2019, Journal of Mechanisms and Robotics.

Design of Regular One-Dimensional, Two-Dimensional, and Three-Dimensional Linkage-Based Tessellations

Larry L. Howell, Nathan Brown, Alden D. Yellowhorse, 2020 .

CALIBRATION OF AN ENERGYPLUS SIMULATION OF A PHASE CHANGE MATERIAL PRODUCT USING EXPERIMENTAL TEST CELL DATA

George Loisos, Santosh Philip, Nathan Brown, 2014 .

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

Nathan Brown, Julian Blagg, Nicholas C. Firth, 2015, 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..

Adaptive comfort and control protocols for natural ventilation

George Loisos, Santosh Philip, Nathan Brown, 2014 .

DESIGN AND MODELING STRATEGIES FOR RETROFIT TO NATURAL VENTILATION.

George Loisos, Santosh Philip, Nathan Brown, 2014 .

Chemoinformatics—an introduction for computer scientists

Nathan Brown, Nathan Brown, 2009, CSUR.

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..

Generation and Display of Activity-Weighted Chemical Hyperstructures

Peter Willett, Nathan Brown, Richard A. Lewis, 2003, J. Chem. Inf. Comput. Sci..

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..

Metamaterial Design for Targeted Limb-Socket Interface Pressure Offloading in Transtibial Amputees

Nathan Brown, Georges Fadel, Meredith K. Owen, 2020, Volume 11A: 46th Design Automation Conference (DAC).

Exploiting QSAR methods in lead optimization.

Nathan Brown, Richard A Lewis, 2006, Current opinion in drug discovery & development.

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

Nathan Brown, N. Yi Mok, 2017, J. Chem. Inf. Model..

Stochastic identification of malware with dynamic traces

Curtis Hash, Nathan Brown, Scott Vander Wiel, 2014, 1404.2462.

Comparison of different Solvents from the Solvent Degradation Rig with Real Samples

Nathan Brown, Geir Haugen, Aslak Einbu, 2017 .

Molecular optimization using computational multi-objective methods.

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

Artificial intelligence in chemistry and drug design

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

On scaffolds and hopping in medicinal chemistry.

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

Multi-objective optimization methods in drug design.

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

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity

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

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..

Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions

Charlotte M. Deane, Nathan Brown, Jack Scantlebury, 2020, J. Chem. Inf. Model..

Structure-based drug design

Nathan Brown, 2016 .

Dataset Augmentation Allows Deep Learning-Based Virtual Screening To Better Generalize To Unseen Target Classes, And Highlight Important Binding Interactions

Nathan Brown, Charlotte M. Deane, Jack Scantlebury, 2020, bioRxiv.

Mapping the 3D structures of small molecule binding sites

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

Fingal: A Novel Approach to Geometric Fingerprinting and a Comparative Study of Its Application to 3D‐QSAR Modelling

Johann Gasteiger, Nathan Brown, Ben McKay, 2005 .

Chapter 17:Summary and Outlook

Nathan Brown, 2020 .

Quick Design Analysis for Improving Building Energy Performance

George Loisos, Santosh Philip, Nathan Brown, 2014 .

Scaffold Diversity of Exemplified Medicinal Chemistry Space

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

GuacaMol: Benchmarking Models for De Novo Molecular Design

Marwin H. S. Segler, Nathan Brown, Marco Fiscato, 2018, J. Chem. Inf. Model..

Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design

Mohamed Ahmed, Marwin H. S. Segler, Daniel Neil, 2018, ICLR.

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..

Exploring Discriminatory Features for Automated Malware Classification

Guanhua Yan, Deguang Kong, Nathan Brown, 2013, DIMVA.

Modal Primer on Greenhouse Gas and Energy Issues for Transportation

Nathan Brown, Zia Wadud, John Samuels, 2010 .

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..

Helping Members of the Community Manage Their Digital Lives: Developing a Personal Digital Archiving Workshop

Nathan Brown, 2015, D Lib Mag..

Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis

Valerie J. Gillet, Peter Ertl, Nathan Brown, 2006, J. Chem. Inf. Model..

9. Feature Trees

Nathan Brown, N. Brown, 2013 .

A novel workflow for the inverse QSPR problem using multiobjective optimization

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

EnergyPlus as a forensic tool: Thermal reconstruction of a crime scene using calibrated simulation

M. Susan Ubbelohde, George Loisos, Santosh Philip, 2014, Simul..

Remote Sensor and Controller System Employing RFID and ZigBee Technology

Nathan Brown, Carolyn Van Houtin, 2008 .

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

Johann Gasteiger, Nathan Brown, François Gilardoni, 2004 .

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

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

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

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

Bioisosteres and Scaffold Hopping in Medicinal Chemistry

Nathan Brown, 2014, Molecular informatics.

A Chemoinformatics Analysis of Hit Lists Obtained from High-Throughput Affinity-Selection Screening

Nathan Brown, Kamal Azzaoui, Edgar Jacoby, 2006, Journal of biomolecular screening.

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

Nathan Brown, Lewis R. Vidler, Stefan Knapp, 2012, 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 .

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

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

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

Gary Box, Nathan Brown, Julian Blagg, 2012 .

Scaffold Hopping in Medicinal Chemistry

Nathan Brown, 2013 .

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

Nathan Brown, Nathan Brown, 2012 .

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.

Fragment-based hit identification: thinking in 3D.

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

Evaluation of Germline BMP4 Mutation as a Cause of Colorectal Cancer

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