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Methods in Molecular Biology (Clifton, N.J.)|February 5, 2020
Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital MethodAlexander Heifetz, Vladimir Sladek, Andrea Townsend-Nicholson, et al.Journal of Chemical Information and Modeling|August 8, 2022
Hotspot Identification and Drug Design of Protein-Protein Interaction Modulators Using the Fragment Molecular Orbital MethodStefania Monteleone, Dmitri G Fedorov, Andrea Townsend-Nicholson, et al.International Journal of Molecular Sciences|November 11, 2022
The Importance of Charge Transfer and Solvent Screening in the Interactions of Backbones and Functional Groups in Amino Acid Residues and NucleotidesVladimir Sladek, Dmitri G FedorovJournal of Computational Chemistry|July 5, 2017
Rapid and accurate assessment of GPCR-ligand interactions Using the fragment molecular orbital-based density-functional tight-binding methodInaki Morao, Dmitri G Fedorov, Roger Robinson, et al.Methods in Molecular Biology (Clifton, N.J.)|February 5, 2020
Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) MethodAlexander Heifetz, Tim James, Michelle Southey, et al.Methods in Molecular Biology (Clifton, N.J.)|February 5, 2020
Characterizing Rhodopsin-Arrestin Interactions with the Fragment Molecular Orbital (FMO) MethodAlexander Heifetz, Andrea Townsend-NicholsonMethods in Molecular Biology (Clifton, N.J.)|December 1, 2017
Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand BindingAndrew Potterton, Alexander Heifetz, Andrea Townsend-NicholsonMethods in Molecular Biology (Clifton, N.J.)|November 3, 2021
Predicting Residence Time of GPCR Ligands with Machine LearningAndrew Potterton, Alexander Heifetz, Andrea Townsend-NicholsonMethods in Molecular Biology (Clifton, N.J.)|February 5, 2020
Accurate Scoring in Seconds with the Fragment Molecular Orbital and Density-Functional Tight-Binding MethodsInaki Morao, Alexander Heifetz, Dmitri G FedorovCurrent Opinion in Structural Biology|April 26, 2019
Characterising GPCR-ligand interactions using a fragment molecular orbital-based approachAlexander Heifetz, Tim James, Michelle Southey, et al.Pageof 22