Scott P. Brown

发表

High-Throughput Calculation of Protein-Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing

Steven W. Muchmore, Scott P. Brown, S. Muchmore, 2006, J. Chem. Inf. Model..

POSIT: Flexible Shape-Guided Docking For Pose Prediction

Steven W. Muchmore, Brian P. Kelley, Gregory L. Warren, 2015, J. Chem. Inf. Model..

Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

Yvonne C. Martin, Steven W. Muchmore, Scott P. Brown, 2008, J. Chem. Inf. Model..

Rapid Estimation of Relative Protein-Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA

Steven W. Muchmore, Scott P. Brown, S. Muchmore, 2007, J. Chem. Inf. Model..

Drug Design: Free-energy calculations in structure-based drug design

David L. Mobley, Michael R. Shirts, Scott P. Brown, 2010 .

High‐Throughput Calculation of Protein—Ligand Binding Affinities: Modification and Adaptation of the MM‐PBSA Protocol to Enterprise Grid Computing.

Steven W. Muchmore, Scott P. Brown, S. Muchmore, 2006 .

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Regina Barzilay, Ola Engkvist, Tommi Jaakkola, 2020, Journal of medicinal chemistry.

Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation

Scott P. Brown, L. Hardy, L. Pollegioni, 2014, Bioscience reports.

Synthesis and evaluation of benzothiazole-based analogues as novel, potent, and selective fatty acid amide hydrolase inhibitors.

Scott P. Brown, S. Muchmore, J. Brioni, 2009, Journal of medicinal chemistry.

Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Scott P. Brown, S. Muchmore, Steven W Muchmore, 2009, Journal of medicinal chemistry.

Molecular Shape and Medicinal Chemistry: A Perspective

Ajay N. Jain, Scott P. Brown, A. Good, 2010, Journal of medicinal chemistry.

A unified, probabilistic framework for structure- and ligand-based virtual screening.

Scott P. Brown, P. Hajduk, S. Swann, 2011, Journal of medicinal chemistry.

Healthy skepticism: assessing realistic model performance.

Scott P. Brown, P. Hajduk, S. Muchmore, 2009, Drug discovery today.

The evolution of library design: crafting smart compound collections for phenotypic screens.

Scott P. Brown, Kerry L Spear, Scott P Brown, 2017, Drug discovery today. Technologies.

Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Scott P. Brown, S. Muchmore, 2009, Journal of medicinal chemistry.

Effects of Conformational Dynamics on Predicted Protein Druggability

Scott P. Brown, P. Hajduk, Scott Brown, 2006, ChemMedChem.

Drug Design: Free-energy calculations in structure-based drug design

Michael R. Shirts, Scott P. Brown, D. Mobley, 2010 .