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Michael Feig
Researcher at Michigan State University
Publications - 193
Citations - 28987
Michael Feig is an academic researcher from Michigan State University. The author has contributed to research in topics: Molecular dynamics & Solvation. The author has an hindex of 54, co-authored 181 publications receiving 24201 citations. Previous affiliations of Michael Feig include Scripps Research Institute & RIKEN Quantitative Biology Center.
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Journal ArticleDOI
Computational protein structure refinement: almost there, yet still so far to go
TL;DR: While improvement of the global protein structure is a difficult problem, high‐resolution refinement methods that improve local structural quality such as favorable stereochemistry and the avoidance of atomic clashes are much more successful.
Posted ContentDOI
Modeling of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Proteins by Machine Learning and Physics-Based Refinement
Lim Heo,Michael Feig +1 more
TL;DR: New predictions from the in-house structure prediction pipeline takes advantage of inter-residue contact predictions from trRosetta, a machine learning-based method and is compared with C-I-TASSER models.
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Molecular dynamics simulations of large integral membrane proteins with an implicit membrane model.
Seiichiro Tanizaki,Michael Feig +1 more
TL;DR: For all proteins, the HDGB model was able to generate stable trajectories that remained close to the starting experimental structures, in excellent agreement with explicit membrane simulations, demonstrating that the membrane environment leads to more realistic simulations.
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Accurate prediction of protonation state as a prerequisite for reliable MM‐PB(GB)SA binding free energy calculations of HIV‐1 protease inhibitors
TL;DR: It is found that the inclusion of explicit water molecules may offer a slight advantage in reproducing absolute binding free energies while the use of the Generalized Born approximation significantly affects the accuracy of the calculated binding affinities.
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Implicit solvent simulations of DNA and DNA-protein complexes: Agreement with explicit solvent vs experiment
Jana Chocholousova,Michael Feig +1 more
TL;DR: Results obtained in this study demonstrate that stable and efficient simulations of DNA and a protein-DNA complex can be achieved with an implicit solvent model based on continuum dielectric electrostatics.