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2020 – today
- 2023
[j25]Bercem Dutagaci, Bingbing Duan, Chenxi Qiu, Craig D. Kaplan
, Michael Feig:
Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning. PLoS Comput. Biol. 19(3) (2023)- [j24]Natalia Ostrowska, Michael Feig, Joanna Trylska:
Varying molecular interactions explain aspects of crowder-dependent enzyme function of a viral protease. PLoS Comput. Biol. 19(4) (2023) - 2021
- [j23]Jaewoon Jung, Chigusa Kobayashi, Kento Kasahara, Cheng Tan, Akiyoshi Kuroda, Kazuo Minami, Shigeru Ishiduki, Tatsuo Nishiki, Hikaru Inoue, Yutaka Ishikawa, Michael Feig, Yuji Sugita:
New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems. J. Comput. Chem. 42(4): 231-241 (2021) - 2020
- [j22]Xiping Gong, Mara Chiricotto, Xiaorong Liu, Erik B. Nordquist, Michael Feig, Charles L. Brooks III, Jianhan Chen:
Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units. J. Comput. Chem. 41(8): 830-838 (2020)
2010 – 2019
- 2019
- [j21]Stephanie A. Brocke, Alexandra Degen, Alexander D. MacKerell Jr., Bercem Dutagaci, Michael Feig:
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning. J. Chem. Inf. Model. 59(3): 1147-1162 (2019) - 2018
- [j20]Lim Heo, Michael Feig:
PREFMD: a web server for protein structure refinement via molecular dynamics simulations. Bioinform. 34(6): 1063-1065 (2018) - 2017
- [j19]Bercem Dutagaci, Maryam Sayadi, Michael Feig:
Heterogeneous dielectric generalized Born model with a van der Waals term provides improved association energetics of membrane-embedded transmembrane helices. J. Comput. Chem. 38(16): 1308-1320 (2017) - [j18]Bercem Dutagaci, Michael Feig:
Determination of Hydrophobic Lengths of Membrane Proteins with the HDGB Implicit Membrane Model. J. Chem. Inf. Model. 57(12): 3032-3042 (2017) - 2016
- [j17]Michael Feig:
Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMD. J. Chem. Inf. Model. 56(7): 1304-1312 (2016) - [j16]Beibei Wang, Joshua Francis, Monika Sharma, Sean M. Law, Alexander V. Predeus, Michael Feig:
Long-Range Signaling in MutS and MSH Homologs via Switching of Dynamic Communication Pathways. PLoS Comput. Biol. 12(10) (2016) - 2012
- [j15]Yi-Ming Cheng, Srinivasa Murthy Gopal, Sean M. Law, Michael Feig:
Molecular Dynamics Trajectory Compression with a Coarse-Grained Model. IEEE ACM Trans. Comput. Biol. Bioinform. 9(2): 476-486 (2012)
2000 – 2009
- 2009
- [j14]Maria I. Zavodszky, Andrew W. Stumpff-Kane, David J. Lee, Michael Feig:
Scoring confidence index: statistical evaluation of ligand binding mode predictions. J. Comput. Aided Mol. Des. 23(5): 289-299 (2009) - [j13]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:
CHARMM: The biomolecular simulation program. J. Comput. Chem. 30(10): 1545-1614 (2009) - 2008
- [j12]Yongcheng Zhou, Michael Feig, Guo-Wei Wei:
Highly accurate biomolecular electrostatics in continuum dielectric environments. J. Comput. Chem. 29(1): 87-97 (2008) - [j11]Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig:
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. 29(5): 673-685 (2008) - [j10]Mark A. Olson, Michael Feig, Charles L. Brooks III:
Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions. J. Comput. Chem. 29(5): 820-831 (2008) - 2007
- [j9]Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig:
On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes. BMC Syst. Biol. 1(S-1): P58 (2007) - 2006
- [j8]Jana Chocholousová, Michael Feig:
Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations. J. Comput. Chem. 27(6): 719-729 (2006) - [j7]Yongcheng Zhou, Shan Zhao, Michael Feig, Guo-Wei Wei:
High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources. J. Comput. Phys. 213(1): 1-30 (2006) - 2004
- [j6]Michael Feig, Alexey Onufriev, Michael S. Lee, Wonpil Im, David A. Case, Charles L. Brooks III:
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures. J. Comput. Chem. 25(2): 265-284 (2004) - [j5]Alexander D. MacKerell Jr., Michael Feig, Charles L. Brooks III:
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. 25(11): 1400-1415 (2004) - 2003
- [j4]Michael S. Lee, Michael Feig, Freddie R. Salsbury Jr., Charles L. Brooks III:
New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations. J. Comput. Chem. 24(11): 1348-1356 (2003) - [j3]Michael S. Lee, Michael Feig, Freddie R. Salsbury Jr., Charles L. Brooks III:
New analytic approximation to the standard molecular volume definition and its application to generalized born calculations - Erratum. J. Comput. Chem. 24(14): 1821 (2003)
1990 – 1999
- 1999
- [j2]Michael Feig, Matin Abdullah, S. Lennart Johnsson, B. Montgomery Pettitt:
Large scale distributed data repository: design of a molecular dynamics trajectory database. Future Gener. Comput. Syst. 16(1): 101-110 (1999) - [j1]Olle Larsson, Michael Feig, S. Lennart Johnsson:
Some Metacomputing Experiences for Scientific Applications. Parallel Process. Lett. 9(2): 243-252 (1999) - 1996
- [b1]Michael Feig:
Einführung in GNU. UNIX easy, Hanser 1996, ISBN 978-3-446-18311-7, pp. I-XIV, 1-210
Coauthor Index
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