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A united-residue force field for off-lattice protein-structure simulations. I. Functional forms and parameters of long-range side-chain interaction potentials from protein crystal data.

A. Liwo, S. Oldziej, M. Pincus, R. Wawak, S. Rackovsky, and H. Scheraga. J. Comput. Chem., 18 (7): 849-873 (1997)

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Regina Linawati Liwoto

Iris Liwowsky

Adam Keltsch

Adam Krampf

Adam Krings

Other publications of authors with the same name

A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields.A. Sieradzan, A. Gieldon, Y. Yin, Y. He, H. Scheraga, and A. Liwo. J. Comput. Chem., 39 (28): 2360-2370 (2018)Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins.A. Karczynska, C. Czaplewski, P. Krupa, M. Mozolewska, K. Joo, J. Lee, and A. Liwo. J. Comput. Chem., 38 (31): 2730-2746 (2017)Pseudopotentials for coarse-grained cross-link-assisted modeling of protein structures.M. Kogut, Z. Gong, C. Tang, and A. Liwo. J. Comput. Chem., 42 (29): 2054-2067 (2021)Correction to Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics.P. Krupa, A. Halabis, W. Zmudzinska, S. Oldziej, H. Scheraga, and A. Liwo. J. Chem. Inf. Model., 58 (1): 206 (2018)Assessment of Two Restraint Potentials for Coarse-Grained Chemical-Cross-Link-Assisted Modeling of Protein Structures.M. Lesniewski, M. Pyrka, C. Czaplewski, N. Co, Y. Jiang, Z. Gong, C. Tang, and A. Liwo. J. Chem. Inf. Model., 64 (4): 1377-1393 (February 2024)UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics.C. Czaplewski, A. Karczynska, A. Sieradzan, and A. Liwo. Nucleic Acids Res., 46 (Webserver-Issue): W304-W309 (2018)Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.P. Krupa, M. Mozolewska, M. Wisniewska, Y. Yin, Y. He, A. Sieradzan, R. Ganzynkowicz, A. Lipska, A. Karczynska, M. Slusarz and 7 other author(s). Bioinform., 32 (21): 3270-3278 (2016)Theoretical calculations of homoconjugation equilibrium constants in systems modeling acid-base interactions in side chains of biomolecules using the potential of mean force.J. Makowska, M. Makowski, A. Liwo, and L. Chmurzynski. J. Comput. Chem., 26 (3): 235-242 (2005)Molecular mechanics calculations on deaminooxytocin and on deamino-arginine-vasopressin and its analogues.A. Liwo, A. Tempczyk, and Z. Grzonka. J. Comput. Aided Mol. Des., 2 (4): 281-309 (1989)Introduction of a bounded penalty function in contact-assisted simulations of protein structures to omit false restraints.E. Lubecka, and A. Liwo. J. Comput. Chem., 40 (25): 2164-2178 (2019)

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