Eric Dybeck

Pfizer (United States) — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

11h-index467citations19works2.02yr avg
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Research Topics

Protein Structure and Dynamics(8), Computational Drug Discovery Methods(7), Crystallography and molecular interactions(6), Machine Learning in Materials Science(4), Catalytic Processes in Materials Science(3)

Publications19 total

Ion Mobility-Mass Spectrometry Strategies to Elucidate the Anhydrous Structure of Noncovalent Guest/Host Complexes
Analytical Chemistry·2024· 2 citedOpen Access
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach
Journal of Chemical Theory and Computation·2023· 32 citedOpen Access
Noncovalent Host–Guest Complexes of Artemisinin with α-, β-, and γ- Cyclodextrin Examined by Structural Mass Spectrometry Strategies
Analytical Chemistry·2023· 13 cited
Broadening the scope of binding free energy calculations using a Separated Topologies approach
2023· 3 citedOpen Access
WITHDRAWN
2023Open Access
A Comparison of Methods for Computing Relative Anhydrous–Hydrate Stability with Molecular Simulation
Crystal Growth & Design·2022· 24 cited
Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin
Crystal Growth & Design·2020· 53 cited
Exploring the Multi-minima Behavior of Small Molecule Crystal Polymorphs at Finite Temperature
Crystal Growth & Design·2019· 36 cited
Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams
The Journal of Chemical Physics·2018· 25 citedOpen Access
Effects of temperature and entropy in small molecule crystal structure prediction
2018
Referee report. For: Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules [version 1; referees: 2 approved]
Faculty of 1000 Research Ltd·2018Open Access
Capturing Entropic Contributions to Temperature-Mediated Polymorphic Transformations Through Molecular Modeling
Crystal Growth & Design·2017· 56 cited
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions
Journal of Chemical Theory and Computation·2017· 76 cited
Capturing the Role of Temperature and Entropy in Crystal Polymorphs Through Molecular Simulations
Libra·2016Open Access
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials
Journal of Chemical Theory and Computation·2016· 29 cited
Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials
Journal of Chemical Theory and Computation·2016· 54 cited
Preferential activation of CO near hydrocarbon chains during Fischer–Tropsch synthesis on Ru
Journal of Catalysis·2016· 64 citedOpen Access
C-C bond formation during fischer-tropsch synthesis on Ru and Co catalysts
2014
First-principles based kinetic Monte Carlo simulation of catalytic systems over metal particles
2014

Frequent Co-authors

Michael R. Shirts(5), Matthew Neurock(4), Frank C. Pickard(4), Natalie P. Schieber(3), Hannah M. Baumann(3), Christopher L. McClendon(3), Vytautas Gapsys(3), Laura Pérez‐Benito(3), David F. Hahn(3), Gary Tresadern(3), Alan M. Mathiowetz(3), David L. Mobley(3), David Hibbitts(2), Thomas Lawlor(2), Enrique Iglesia(2), Bruno C. Hancock(2), Geoffrey P. F. Wood(2), Emanuel Zlibut(2), Jody C. May(2), Yansheng Wei(2)