Bayesian optimization for conformer generation

von Chan, Lucian, Hutchison, Geoffrey R., Morris, Garrett M.
Veröffentlicht in J Cheminform (2019)

Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review

von Meli, Rocco, Morris, Garrett M., Biggin, Philip C.
Veröffentlicht in Front Bioinform (2022)

Understanding Ring Puckering in Small Molecules and Cyclic Peptides

von Chan, Lucian, Hutchison, Geoffrey R., Morris, Garrett M.
Veröffentlicht in J Chem Inf Model (2021)

Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites

von Ross, Gregory A., Morris, Garrett M., Biggin, Philip C.
Veröffentlicht 2012

One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery

von Ross, Gregory A., Morris, Garrett M., Biggin, Philip C.
Veröffentlicht 2013

Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening

von Fulle, Simone, Armstrong, Stuart M, Finn, Paul W, Morris, Garrett M
Veröffentlicht 2012

Packaging HIV Virion Components Through Dynamic Equilibria of a Human tRNA Synthetase

von Guo, Min, Shapiro, Ryan, Morris, Garrett M., Yang, Xiang-Lei, Schimmel, Paul
Veröffentlicht 2010

Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology

von Cortés-Cabrera, Alvaro, Morris, Garrett M, Finn, Paul W, Morreale, Antonio, Gago, Federico
Veröffentlicht 2013

Coevolutionary analysis of resistance-evading peptidomimetic inhibitors of HIV-1 protease

von Rosin, Christopher D., Belew, Richard K., Morris, Garrett M., Olson, Arthur J., Goodsell, David S.
Veröffentlicht 1999

Structural Basis for Distinctions between Substrate and Inhibitor Specificities for Feline Immunodeficiency Virus and Human Immunodeficiency Virus Proteases

von Lin, Ying-Chuan, Beck, Zachary, Morris, Garrett M., Olson, Arthur J., Elder, John H.
Veröffentlicht 2003

Molecular Determinants of Binding to the Plasmodium Subtilisin-like Protease 1

von Fulle, Simone, Withers-Martinez, Chrislaine, Blackman, Michael J., Morris, Garrett M., Finn, Paul W.
Veröffentlicht 2013

Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening

von Ebejer, Jean-Paul, Finn, Paul W., Wong, Wing Ki, Deane, Charlotte M., Morris, Garrett M.
Veröffentlicht in J Chem Inf Model (2019)

Exploration of Piperidinols as Potential Antitubercular Agents

von Abuhammad, Areej, Fullam, Elizabeth, Bhakta, Sanjib, Russell, Angela J., Morris, Garrett M., Finn, Paul W., Sim, Edith
Veröffentlicht in Molecules (2014)

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

von Morris, Garrett M., Huey, Ruth, Lindstrom, William, Sanner, Michel F., Belew, Richard K., Goodsell, David S., Olson, Arthur J.
Veröffentlicht 2009

Automated Docking with Protein Flexibility in the Design of Femtomolar “Click Chemistry” Inhibitors of Acetylcholinesterase

von Morris, Garrett M., Green, Luke G., Radić, Zoran, Taylor, Palmer, Sharpless, K. Barry, Olson, Arthur J., Grynszpan, Flavio
Veröffentlicht 2013

Functional proteomic and structural insights into molecular recognition in the nitrilase family enzymes

von Barglow, Katherine T., Saikatendu, Kumar S., Bracey, Michael H., Huey, Ruth, Morris, Garrett M., Olson, Arthur J., Stevens, Raymond C., Cravatt, Benjamin F.
Veröffentlicht 2008

Alteration of Substrate and Inhibitor Specificity of Feline Immunodeficiency Virus Protease

von Lin, Ying-Chuan, Beck, Zachary, Lee, Taekyu, Le, Van-Duc, Morris, Garrett M., Olson, Arthur J., Wong, Chi-Huey, Elder, John H.
Veröffentlicht 2000

A Dynamic Model of HIV Integrase Inhibition and Drug Resistance

von Perryman, Alex L., Forli, Stefano, Morris, Garrett M., Burt, Catherine, Cheng, Yuhui, Palmer, Michael J., Whitby, Kevin, McCammon, J. Andrew, Phillips, Chris, Olson, Arthur J.
Veröffentlicht 2010

Understanding the Structural Requirements for Activators of the Kef Bacterial Potassium Efflux System

von Healy, Jessica, Ekkerman, Silvia, Pliotas, Christos, Richard, Morgiane, Bartlett, Wendy, Grayer, Samuel C., Morris, Garrett M., Miller, Samantha, Booth, Ian R., Conway, Stuart J., Rasmussen, Tim
Veröffentlicht 2014

Target Flexibility: An Emerging Consideration in Drug Discovery and Design

von Cozzini, Pietro, Kellogg, Glen E., Spyrakis, Francesca, Abraham, Donald J., Costantino, Gabriele, Emerson, Andrew, Fanelli, Francesca, Gohlke, Holger, Kuhn, Leslie A., Morris, Garrett M., Orozco, Modesto, Pertinhez, Thelma A., Rizzi, Menico, Sotriffer, Christoph
Veröffentlicht 2008