Michael Feig

27 papers Journal 26
YearRankTypeTitle / Venue / Authors
2024 J jnl
Transferable deep generative modeling of intrinsically disordered protein conformations.
PLoS Comput. Biol.
Giacomo Janson, Michael Feig
2023 J jnl
Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning.
PLoS Comput. Biol.
Bercem Dutagaci, Bingbing Duan, Chenxi Qiu, Craig D. Kaplan, Michael Feig
2023 J jnl
Varying molecular interactions explain aspects of crowder-dependent enzyme function of a viral protease.
PLoS Comput. Biol.
Natalia Ostrowska, Michael Feig, Joanna Trylska
2021 J jnl
New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems.
J. Comput. Chem.
Jaewoon Jung, Chigusa Kobayashi, Kento Kasahara, Cheng Tan, Akiyoshi Kuroda, Kazuo Minami, Shigeru Ishiduki, Tatsuo Nishiki, Hikaru Inoue, Yutaka Ishikawa, Michael Feig, Yuji Sugita
2020 J jnl
Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units.
J. Comput. Chem.
Xiping Gong, Mara Chiricotto, Xiaorong Liu, Erik B. Nordquist, Michael Feig, Charles L. Brooks III, Jianhan Chen
2019 J jnl
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning.
J. Chem. Inf. Model.
Stephanie A. Brocke, Alexandra Degen, Alexander D. MacKerell Jr., Bercem Dutagaci, Michael Feig
2018 J jnl
PREFMD: a web server for protein structure refinement via molecular dynamics simulations.
Bioinform.
Lim Heo, Michael Feig
2017 J jnl
Determination of Hydrophobic Lengths of Membrane Proteins with the HDGB Implicit Membrane Model.
J. Chem. Inf. Model.
Bercem Dutagaci, Michael Feig
2017 J jnl
Heterogeneous dielectric generalized Born model with a van der Waals term provides improved association energetics of membrane-embedded transmembrane helices.
J. Comput. Chem.
Bercem Dutagaci, Maryam Sayadi, Michael Feig
2016 J jnl
Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMD.
J. Chem. Inf. Model.
Michael Feig
2016 J jnl
Long-Range Signaling in MutS and MSH Homologs via Switching of Dynamic Communication Pathways.
PLoS Comput. Biol.
Beibei Wang, Joshua Francis, Monika Sharma, Sean M. Law, Alexander V. Predeus, Michael Feig
2012 J jnl
Molecular Dynamics Trajectory Compression with a Coarse-Grained Model.
IEEE ACM Trans. Comput. Biol. Bioinform.
Yi-Ming Cheng, Srinivasa Murthy Gopal, Sean M. Law, Michael Feig
2009 J jnl
CHARMM: The biomolecular simulation program.
J. Comput. Chem.
Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., Lennart Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, Stefan Boresch, Amedeo Caflisch, Leo S. D. Caves, Qiang Cui, Aaron R. Dinner, Michael Feig, S. Fischer, Jiali Gao, Milan Hodoscek, Wonpil Im, Krzysztof Kuczera, Themis Lazaridis, J. Ma, Victor Ovchinnikov, Emanuele Paci, Richard W. Pastor, C. B. Post, J. Z. Pu, Michael Schaefer, Bruce Tidor, Richard M. Venable, H. Lee Woodcock III, X. Wu, W. Yang, Darrin M. York, Martin Karplus
2009 J jnl
Scoring confidence index: statistical evaluation of ligand binding mode predictions.
J. Comput. Aided Mol. Des.
Maria I. Zavodszky, Andrew W. Stumpff-Kane, David J. Lee, Michael Feig
2008 J jnl
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.
Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig
2008 J jnl
Highly accurate biomolecular electrostatics in continuum dielectric environments.
J. Comput. Chem.
Yongcheng Zhou, Michael Feig, Guo-Wei Wei
2008 J jnl
Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions.
J. Comput. Chem.
Mark A. Olson, Michael Feig, Charles L. Brooks III
2007 J jnl
On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes.
BMC Syst. Biol.
Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig
2006 J jnl
Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations.
J. Comput. Chem.
Jana Chocholousová, Michael Feig
2006 J jnl
High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources.
J. Comput. Phys.
Yongcheng Zhou, Shan Zhao, Michael Feig, Guo-Wei Wei
2004 J jnl
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.
Alexander D. MacKerell Jr., Michael Feig, Charles L. Brooks III
2004 J jnl
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
J. Comput. Chem.
Michael Feig, Alexey Onufriev, Michael S. Lee, Wonpil Im, David A. Case, Charles L. Brooks III
2003 J jnl
New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.
J. Comput. Chem.
Michael S. Lee, Michael Feig, Freddie R. Salsbury Jr., Charles L. Brooks III
2003 J jnl
New analytic approximation to the standard molecular volume definition and its application to generalized born calculations - Erratum.
J. Comput. Chem.
Michael S. Lee, Michael Feig, Freddie R. Salsbury Jr., Charles L. Brooks III
1999 J jnl
Large scale distributed data repository: design of a molecular dynamics trajectory database.
Future Gener. Comput. Syst.
Michael Feig, Matin Abdullah, S. Lennart Johnsson, B. Montgomery Pettitt
1999 J jnl
Some Metacomputing Experiences for Scientific Applications.
Parallel Process. Lett.
Olle Larsson, Michael Feig, S. Lennart Johnsson
1996 — book
Einführung in GNU.
Michael Feig