Michael Feig

Orcid: 0000-0001-9380-6422

According to our database1, Michael Feig authored at least 27 papers between 1996 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Transferable deep generative modeling of intrinsically disordered protein conformations.
PLoS Comput. Biol., 2024

2023
Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning.
PLoS Comput. Biol., March, 2023

Varying molecular interactions explain aspects of crowder-dependent enzyme function of a viral protease.
PLoS Comput. Biol., 2023

2021
New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems.
J. Comput. Chem., 2021

2020
Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units.
J. Comput. Chem., 2020

2019
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning.
J. Chem. Inf. Model., 2019

2018
PREFMD: a web server for protein structure refinement via molecular dynamics simulations.
Bioinform., 2018

2017
Determination of Hydrophobic Lengths of Membrane Proteins with the HDGB Implicit Membrane Model.
J. Chem. Inf. Model., December, 2017

Heterogeneous dielectric generalized Born model with a van der Waals term provides improved association energetics of membrane-embedded transmembrane helices.
J. Comput. Chem., 2017

2016
Long-Range Signaling in MutS and MSH Homologs via Switching of Dynamic Communication Pathways.
PLoS Comput. Biol., 2016

Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMD.
J. Chem. Inf. Model., 2016

2012
Molecular Dynamics Trajectory Compression with a Coarse-Grained Model.
IEEE ACM Trans. Comput. Biol. Bioinform., 2012

2009
CHARMM: The biomolecular simulation program.
J. Comput. Chem., 2009

Scoring confidence index: statistical evaluation of ligand binding mode predictions.
J. Comput. Aided Mol. Des., 2009

2008
Highly accurate biomolecular electrostatics in continuum dielectric environments.
J. Comput. Chem., 2008

Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors.
J. Comput. Chem., 2008

Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions.
J. Comput. Chem., 2008

2007
On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes.
BMC Syst. Biol., 2007

2006
High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources.
J. Comput. Phys., 2006

Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations.
J. Comput. Chem., 2006

2004
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
J. Comput. Chem., 2004

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
J. Comput. Chem., 2004

2003
New analytic approximation to the standard molecular volume definition and its application to generalized born calculations - Erratum.
J. Comput. Chem., 2003

New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.
J. Comput. Chem., 2003

1999
Some Metacomputing Experiences for Scientific Applications.
Parallel Process. Lett., 1999

Large scale distributed data repository: design of a molecular dynamics trajectory database.
Future Gener. Comput. Syst., 1999

1996
Einführung in GNU.
UNIX easy, Hanser, ISBN: 978-3-446-18311-7, 1996


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