Resultats de la cerca - Czaplewski, Cezary

Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force field per Nanias, Marian, Czaplewski, Cezary, Scheraga, Harold A.

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Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films per Gieldon, Artur, Czaplewski, Cezary, Smalara, Krzysztof, Bobrowski, Maciej

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Polymerization of chloro-p-xylylenes, quantum-chemical study per Czaplewski, Cezary, Smalara, Krzysztof, Giełdoń, Artur, Bobrowski, Maciej

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Computational techniques for efficient conformational sampling of proteins per Liwo, Adam, Czaplewski, Cezary, Ołdziej, Stanisław, Scheraga, Harold A

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Implementations of Nosé–Hoover and Nosé–Poincaré thermostats in mesoscopic dynamic simulations with the united-residue model of a polypeptide chain per Kleinerman, Dana S., Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.

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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field per Shen, Hujun, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.

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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins per Czaplewski, Cezary, Kalinowski, Sebastian, Liwo, Adam, Scheraga, Harold A.

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Potential of mean force of association of large hydrophobic particles: towards the nanoscale limit per Makowski, Mariusz, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.

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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics per Czaplewski, Cezary, Karczyńska, Agnieszka, Sieradzan, Adam K, Liwo, Adam

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Common functionally-important motions of the nucleotide-binding domain of Hsp70 per Gołaś, Ewa I., Czaplewski, Cezary, Scheraga, Harold A., Liwo, Adam

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Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field per Maisuradze, Gia G., Senet, Patrick, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.

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Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the united residue (UNRES) force field for protein simulations per Sieradzan, Adam K., Krupa, Paweł, Scheraga, Harold A., Liwo, Adam, Czaplewski, Cezary

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Influence of Temperature and Salt Concentration on the Hydrophobic Interactions of Adamantane and Hexane per Bogunia, Małgorzata, Liwo, Adam, Czaplewski, Cezary, Makowska, Joanna, Giełdoń, Artur, Makowski, Mariusz

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Theoretical Investigation of the Coronavirus SARS-CoV-2 (COVID-19) Infection Mechanism and Selectivity per Biskupek, Iga, Sieradzan, Adam, Czaplewski, Cezary, Liwo, Adam, Lesner, Adam, Giełdoń, Artur

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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field per Liwo, Adam, Arłukowicz, Piotr, Czaplewski, Cezary, Ołdziej, Stanisław, Pillardy, Jarosław, Scheraga, Harold A.

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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains per Makowski, Mariusz, Sobolewski, Emil, Czaplewski, Cezary, Ołdziej, Stanisław, Liwo, Adam, Scheraga, Harold A.

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Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein st... per Liwo, Adam, Ołdziej, Stanisław, Czaplewski, Cezary, Kleinerman, Dana S., Blood, Philip, Scheraga, Harold A.

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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in wa... per Sobolewski, Emil, Makowski, Mariusz, Ołdziej, Stanisław, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.

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Conformation-family Monte Carlo: A new method for crystal structure prediction per Pillardy, Jaroslaw, Arnautova, Yelena A., Czaplewski, Cezary, Gibson, Kenneth D., Scheraga, Harold A.

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Recent Developments in Data-Assisted Modeling of Flexible Proteins per Czaplewski, Cezary, Gong, Zhou, Lubecka, Emilia A., Xue, Kai, Tang, Chun, Liwo, Adam

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