检索结果 - Czaplewski, Cezary

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

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

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

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Computational techniques for efficient conformational sampling of proteins 由 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 由 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 由 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 由 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 由 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 由 Czaplewski, Cezary, Karczyńska, Agnieszka, Sieradzan, Adam K, Liwo, Adam

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Common functionally-important motions of the nucleotide-binding domain of Hsp70 由 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 由 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 由 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 由 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 由 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 由 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 由 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... 由 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... 由 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 由 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 由 Czaplewski, Cezary, Gong, Zhou, Lubecka, Emilia A., Xue, Kai, Tang, Chun, Liwo, Adam

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