Search Results - "Stanisław Włodek"

CHANGES OF THE PHYSICOCHEMICAL COMPOSITION IN THE WATER FROM WATER INTAKES ON RURAL AREAS OF KLUCZBORSKI COUNTY by Katarzyna Pawęska, Aleksandra Bawiec, Stanisław Włodek, Rafał Maras

“…Due to a lack of centralized water supply network on rural areas, the main source of water for household use are shallow dug wells. The quality of water taken…”
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COMPARISON OF THE CHOSEN ENVIRONMENTAL FEATURES OF THE ARABLE LAND AND FALLOW by Stanisław Włodek, Urszula Sienkiewicz-Cholewa, Andrzej Biskupski, Tomasz R. Sekutowski

“…The results and analysis of the chosen physico-chemical soil properties of the fallow, which was not cultivated for 7 years and of the arable land, situated…”
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Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations? by Poongavanam, Vasanthanathan, Danelius, Emma, Peintner, Stefan, Alcaraz, Lilian, Caron, Giulia, Cummings, Maxwell D, Wlodek, Stanislaw, Erdelyi, Mate, Hawkins, Paul C. D, Ermondi, Giuseppe, Kihlberg, Jan

“…Conformational flexibility is a major determinant of the properties of macrocycles and other drugs in beyond rule of 5 (bRo5) space. Prediction of…”
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THE EFFECT OF INTERCROPS AND DIFFERENTIATED TILLAGE ON THE MAIZE YIELDING by Andrzej Biskupski, Tomasz R. Sekutowski, Stanisław Włodek, Janusz Smagacz, Zygmunt Owsiak

“…The research was carried out in the years 2008–2010 in the fields of the Experimental Station IUNG at Jelcz-Laskowice. Two-factorial experiments were laid out…”
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Conformation Gating as a Mechanism for Enzyme Specificity by Zhou, Huan-Xiang, Wlodek, Stanislaw T., McCammon, J. Andrew

“…Acetylcholinesterase, with an active site located at the bottom of a narrow and deep gorge, provides a striking example of enzymes with buried active sites…”
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Molecular Dynamics of Acetylcholinesterase Dimer Complexed with Tacrine by Wlodek, Stanislaw T, Clark, Terry W, Scott, L. Ridgway, McCammon, J. Andrew

“…We have studied the dynamic properties of acetylcholinesterase dimer from Torpedo californica liganded with tacrine (AChE−THA) in solution using molecular…”
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Modelowe badania wpływu zagęszczenia gleby na gospodarkę wodną warstwy uprawnej by Stanisław Włodek, Andrzej Biskupski, Jan Pabin

“…The studies aimed at determining to what degree differentiated soil compaction can influence the process of evaporation from the soil surface and the moisture…”
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Wpływ głębokości umieszczania nawozu wieloskładnikowego w glebie na plony roślin by Jan Pabin, Andrzej Biskupski, Stanisław Włodek

“…The study was carried out to determine the effect of the depth of placing a multicomponent fertilizer in the arable layer of soil on the quantity of crop…”
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Wpływ zróżnicowanego nawożenia azotem na wskaźnik powierzchni liści (LAI), średni kąt nachylenia liści (MTA) i plon wybranych odmian pszenicy jarej by Andrzej Biskupski, Adam Kaus, Jan Pabin, Stanisław Włodek

“…The study was carried out in the years 2001–2003 in the fields of the Experimental Station, Institute of Cultivation, Fertilization and Soil Science at…”
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On the Mechanism of Acetylcholinesterase Action:  The Electrostatically Induced Acceleration of the Catalytic Acylation Step by Wlodek, Stanislaw T, Antosiewicz, Jan, Briggs, James M

“…Brownian dynamics simulations of the encounter kinetics between the active site of the wild-type and Glu199 mutant of Torpedo californica acetylcholinesterase…”
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Electrostatic steering of substrate to acetylcholinesterase: Analysis of field fluctuations by Wlodek, Stanislaw T., Shen, Tongye, McCammon, J. Andrew

“…Based on previous molecular dynamics simulation results for acetylcholinesterase dimer, we calculate and analyse the electrostatic field fluctuations around…”
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Decisions with Confidence: Application to the Conformation Sampling of Molecules in the Solid State by Hawkins, Paul C. D, Wlodek, Stanislaw

“…Accurate conformations of a molecule are critical for reliable prediction of its properties, so good predictive models require good conformations. Here, we…”
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Acetylcholinesterase: Role of the enzyme's charge distribution in steering charged ligands toward the active site by Antosiewicz, Jan, Wlodek, Stanislaw T., McCammon, J. Andrew

“…The electrostatic steering of charged ligands toward the active site of Torpedo californica acetylcholinesterase is investigated by Brownian dynamics…”
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Simulation of charge-mutant acetylcholinesterases by Antosiewicz, Jan, Wlodek, Stanislaw T, McCammon, J. Andrew, Gilson, Michael K

“…A recent experimental study of human acetylcholinesterase has shown that the mutation of surface acidic residues has little effect on the rate constant for…”
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The SAMP1 Solvation Challenge: Further Lessons Regarding the Pitfalls of Parametrization by Nicholls, Anthony, Wlodek, Stanislaw, Grant, J. Andrew

“…This paper describes an investigation into the performance of different charges and radii with the Poisson−Boltzmann method for the calculation of vacuum−water…”
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Force-field and quantum-mechanical binding study of selected SAMPL3 host-guest complexes by Hamaguchi, Nobuko, Fusti-Molnar, Laszlo, Wlodek, Stanislaw

“…A Merck molecular force field classical potential combined with Poisson-Boltzmann electrostatics (MMFF/PB) has been used to estimate the binding free energy of…”
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SAMPL2 and continuum modeling by Nicholls, Anthony, Wlodek, Stanislaw, Grant, J. Andrew

“…An account is given of our contributions to the SAMPL2 challenge for vacuum-water transfer energies. These contributions include different charge sets and…”
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Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK by Ellingson, Benjamin A., Geballe, Matthew T., Wlodek, Stanislaw, Bayly, Christopher I., Skillman, A. Geoffrey, Nicholls, Anthony

“…Several submissions for the SAMPL4 hydration free energy set were calculated using OpenEye tools, including many that were among the top performing…”
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Theoretical study of the thermochemical stabilities of the isomers of hydroxylsilylene [H2,Si,O].bul.+ in the gas phase by Hrusak, Jan, Bohme, Diethard K, Wlodek, Stanislaw, Schwarz, Helmut

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The Amount of Precipitation Shortage on Productivity of Crops Grown in Simplified Systems of Tillage by Wlodek, Stanislaw, Biskupski, Andrzej, Pabin, Jan

“…The Amount of Precipitation Shortage on Productivity of Crops Grown in Simplified Systems of Tillage From 2006 to 2008, the productivity of crops grown in…”
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