Search Results - "Kaźmierkiewicz, R"

Structural self-organization of C60 and cisplatin in physiological solution by Prylutskyy, Yu I, Cherepanov, V V, Evstigneev, M P, Kyzyma, O A, Petrenko, V I, Styopkin, V I, Bulavin, L A, Davidenko, N A, Wyrzykowski, D, Woziwodzka, A, Piosik, J, Kaźmierkiewicz, R, Ritter, U

“…The specific features of structural self-organization of C60 fullerene and antitumor drug cisplatin (Cis) in physiological solution (0.9% NaCl) have been…”
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Physics-Based Protein-Structure Prediction Using a Hierarchical Protocol Based on the UNRES Force Field: Assessment in Two Blind Tests by Ołdziej, S., Czaplewski, C., Liwo, A., Chinchio, M., Nanias, M., Vila, J. A., Khalili, M., Arnautova, Y. A., Jagielska, A., Makowski, M., Schafroth, H. D., Kaźmierkiewicz, R., Ripoll, D. R., Pillardy, J., Saunders, J. A., Kang, Y. K., Gibson, K. D., Scheraga, H. A.

“…Recent improvements in the protein-structure prediction method developed in our laboratory, based on the thermodynamic hypothesis, are described. The…”
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Recent Improvements in Prediction of Protein Structure by Global Optimization of a Potential Energy Function by Pillardy, Jarosław, Czaplewski, Cezary, Liwo, Adam, Lee, Jooyoung, Ripoll, Daniel R., Kaźmierkiewicz, Rajmund, Ołdziej, Stanisław, Wedemeyer, William J., Gibson, Kenneth D., Arnautova, Yelena A., Saunders, Jeff, Ye, Yuan-Jie, Scheraga, Harold A.

“…Recent improvements of a hierarchical ab initio or de novo approach for predicting both α and β structures of proteins are described. The united-residue energy…”
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United-residue force field for off-lattice protein-structure simulations: III. Origin of backbone hydrogen-bonding cooperativity in united-residue potentials by Liwo, A., Kaźmierkiewicz, R., Czaplewski, C., Groth, M., Ołdziej, S., Wawak, R. J., Rackovsky, S., Pincus, M. R., Scheraga, H. A.

“…Based on the dipole model of peptide groups developed in our earlier work [Liwo et al., Prot. Sci., 2, 1697 (1993)], a cumulant expansion of the average free…”
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Molecular modeling of interactions of the non-peptide antagonist YM087 with the human vasopressin V1a, V2 receptors and with oxytocin receptors by Giełdoń, A, Kaźmierkiewicz, R, Slusarz, R, Ciarkowski, J

“…The nonapeptide hormones arginine vasopressin (CYFQNCPRG-NH2, AVP) and oxytocin (CYIQNCPLG-NH2, OT), control many essential functions in mammals. Their main…”
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The protein folding problem: global optimization of the force fields by Scheraga, H A, Liwo, A, Oldziej, S, Czaplewski, C, Pillardy, J, Ripoll, D R, Vila, J A, Kazmierkiewicz, R, Saunders, J A, Arnautova, Y A, Jagielska, A, Chinchio, M, Nanias, M

“…The evolutionary development of a theoretical approach to the protein folding problem, in our laboratory, is traced. The theoretical foundations and the…”
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Molecular modeling of the human vasopressin V2 receptor/agonist complex by Czaplewski, C, Kaźmierkiewicz, R, Ciarkowski, J

“…The V2 vasopressin renal receptor (V2R), which controls antidiuresis in mammals, is a member of the large family of heptahelical transmembrane (7TM) G…”
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Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectories by Kaźmierkiewicz, R, Czaplewski, C, Lammek, B, Ciarkowski, J

“…Subject of this work is the analysis of molecular dynamics (MD) trajectories of neurophysins I (NPI) and II (NPII) and their complexes with the neurophyseal…”
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Molecular modelling study of the role of cholesterol in the stimulation of the oxytocin receptor by Politowska, E, Kaźmierkiewicz, R, Wiegand, V, Fahrenholz, F, Ciarkowski, J

“…Cholesterol, an integral component of membranes in Eucaryota, is a modifier of membrane properties. In vivo studies have demonstrated that cholesterol can also…”
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Molecular modeling of the neurophysin I/oxytocin complex by Kaźmierkiewicz, R, Czaplewski, C, Lammek, B, Ciarkowski, J

“…Neurophysins I and II (NPI and NPII) act in the neurosecretory granules as carrier proteins for the neurophyseal hormones oxytocin (OT) and vasopressin (VP),…”
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DOCKING LIGANDS TO VASOPRESSIN AND OXYTOCIN RECEPTORS VIA GENETIC ALGORITHM by Politowska, E., Drabik, P., Kazmierkiewicz, R., Ciarkowski, J.

“…ABSTRACT The aim of the study was to computer-dock selected ligands to neurophyseal receptors in order to identify amino acid residues responsible for…”
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Signal transmission via G protein-coupled receptors in the light of rhodopsin structure determination by Ciarkowski, J, Drabik, P, Giełdoń, A, Kaźmierkiewicz, R, Slusarz, R

“…G protein-coupled receptors (GPCRs) transducing diverse external signals to cells via activation of heterotrimeric GTP-binding (G) proteins, estimated to…”
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Molecular modelling of the vasopressin V2 receptor/antagonist interactions by Czaplewski, C, Kaźmierkiewicz, R, Ciarkowski, J

“…We predict some essential interactions between the V2 vasopressin renal receptor (V2R) and its selective peptide antagonist desGly9-[Mca1,D-Ile2,Ile4]AVP, and…”
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Theoretical conformational analysis of six arginine vasopressin analogs with the l-naphthylalanine in position 3 by Ślusarz, R., Kaźmierkiewicz, R., Lammek, B.

“…: Introduction of the naphthylalanine residue into either position 3 of arginine vasopressin (AVP), or its analogs results in peptides with interesting…”
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Molecular docking-based test for affinities of two ligands toward vasopressin and oxytocin receptors by Slusarz, R, Kaźmierkiewicz, R, Giełdoń, A, Lammek, B, Ciarkowski, J

“…Molecular docking simulations are now fast developing area of research. In this work we describe an effective procedure of preparation of the receptor-ligand…”
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Elucidation of neurophysin/bioligand interactions from molecular modeling by Kaźmierkiewicz, R, Czaplewski, C, Ciarkowski, J

“…This is a review of our recent modeling work aimed at: (i) development and assessment of techniques for reliable refinement of low-resolution protein…”
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Design of a knowledge-based force field for off-lattice simulations of protein structure by Liwo, A, Ołdziej, S, Kaźmierkiewicz, R, Groth, M, Czaplewski, C

“…Prediction of protein structure from amino-acid sequence still continues to be an unsolved problem of theoretical molecular biology. One approach to solve it…”
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Energy-based reconstruction of a protein backbone from its α-carbon trace by a Monte-Carlo method by Kaźmierkiewicz, Rajmund, Liwo, Adam, Scheraga, Harold A.

“…An automatic procedure is proposed for reconstruction of a protein backbone from its Cα‐trace; it is based on optimization of a simplified energy function of a…”
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Addition of side chains to a known backbone with defined side-chain centroids by Kaźmierkiewicz, Rajmund, Liwo, Adam, Scheraga, Harold A

“…An automatic procedure is proposed for adding side chains to a protein backbone; it is based on optimization of a simplified energy function for peptide side…”
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The influence of modification at position 2 on the side-chain conformation in oxytocin analogs by Smiech, Bogusław, Kaźmierkiewicz, Rajmund, Lammek, Bernard

“…The nonapeptide oxytocin (OT) is used in medicine to help begin and/or continue childbirth. Its analogs can be also used to control bleeding following fetus…”
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