Louis G Smith

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 7

Top Topics

Molecular Dynamics Simulations

Convolutional Neural Network

Machine Learning

Top Venues

Journal of chemical theory and computation

bioRxiv : the preprint server for biology

This page only lists publications with an associated author ORCID identifier.

Publications

Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of chemical theory and computation (2024)
Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of chemical theory and computation 20 (3) (2024)
Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of chemical theory and computation 20 (3) (2024)
Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of chemical theory and computation 20 (3) (2024)
Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of chemical theory and computation (2024)
Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of chemical theory and computation 20 (3) (2024)
Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman
PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSM. bioRxiv : the preprint server for biology (2023)