| Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry T Dixon, D MacPherson, B Mostofian, T Dauzhenka, S Lotz, D McGee, ... Nature communications 13 (1), 5884, 2022 | 48 | 2022 |
| Non-equilibrium alchemical molecular dynamics simulations of protein-ligand binding RK Pal, E Gallicchio ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Design, synthesis and biological evaluation of D3 antagonists with an aryl linker motif P Cordone, B Muniz, E Gallicchio, RK Pal, T Kurtzman, WW Harding ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Computational methodologies for studying the binding affinities of protein-ligand complexes by combining hydration and dynamical effects RK Pal, S Ramsey, P Cordone, L Wickstrom, T Kurtzman, WW Harding, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Making a splash in implicit solvent: Application of inhomogeneous solvation theory and continuum solvation to host-guest binding affinity predictions L Wickstrom, R Pal, K Haider, J Xia, W Flynn, T Kurtzman, R Levy, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Alchemical computational methodologies for the estimation of binding free energies of supramolecular complexes RK Pal, L Wickstrom, E Gallicchio ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
