Search Results

Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations

Authors: Senn, Hans M.; Kästner, Johannes; Breidung, Jürgen; Thiel, Walter

Source: Canadian Journal of Chemistry, Volume 87, Number 10, 1 October 2009 , pp. 1322-1337(16)

Publisher: NRC Research Press

The redox midpoint potential of the primary quinone of reaction centers in chromatophores of Rhodobacter sphaeroides is pH independent

Authors: Maróti, Péter; Wraight, Colin

Source: European Biophysics Journal, Volume 37, Number 7, September 2008 , pp. 1207-1217(11)

Publisher: Springer

A Large Entropic Term Due to Water Rearrangement is Concomitant with the Photoproduction of Anionic Free-Base Porphyrin Triplet States in Aqueous Solutions

Authors: Andrés, Gabriel O.; Cabrerizo, Franco M.; Martínez-Junza, Víctor; Braslavsky, Silvia E.

Source: Photochemistry and Photobiology, Volume 83, Number 3, May/June 2007 , pp. 503-510(8)

Publisher: Blackwell Publishing

Conformational Transition in the Aminoacyl t-RNA Site of the Bacterial Ribosome both in the Presence and Absence of an Aminoglycoside Antibiotic

Authors: Meroueh, Samy O.; Mobashery, Shahriar

Source: Chemical Biology & Drug Design, Volume 69, Number 5, May 2007 , pp. 291-297(7)

Publisher: Blackwell Publishing

Does Alpha-Helix Folding Necessarily Provide an Energy Source for the Protein-Lipid Binding?

Author: Gursky, Olga

Source: Protein and Peptide Letters, Volume 14, Number 2, February 2007 , pp. 171-174(4)

Publisher: Bentham Science Publishers

Managing Free-energy Barriers in Nuclear Pore Transport

Authors: Nielsen, Brian; Jeppesen, Claus; Ipsen, John

Source: Journal of Biological Physics, Volume 32, Number 5, November 2006 , pp. 465-472(8)

Publisher: Springer

Clusterization of water molecules on crystalline β-AgI surface. Computer experiment

Author: Shevkunov, S.

Source: Colloid Journal, Volume 68, Number 5, October 2006 , pp. 632-643(12)

Publisher: MAIK Nauka/Interperiodica

Conductometric studies of hexadecyltrimethylammonium bromide in aqueous solutions of ethanol and ethylene glycol

Authors: Akbaş, H.; Kartal, Ç.

Source: Colloid Journal, Volume 68, Number 2, March 2006 , pp. 125-130(6)

Publisher: MAIK Nauka/Interperiodica

On the thermodynamic driving force for polymer intercalation in smectite clays

Authors: Chen, B.; Evans, J. R. G.

Source: Philosophical Magazine, Volume 85, Number 14, 11 May 2005 , pp. 1519-1538(20)

Publisher: Taylor and Francis Ltd

Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site

Authors: Dolenc, Jožica; Oostenbrink, Chris; Koller, Jože; van Gunsteren, Wilfred F.

Source: Nucleic Acids Research, Volume 33, Number 2, 2005 , pp. 725-733(9)

Publisher: Oxford University Press

Complexation of natural and methylated -cyclodextrins with long-chain Carboxylic acids in aqueous solutions. Calorimetric studies at 298 K

Authors: Castronuovo, Giuseppina; Niccoli, Marcella

Source: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Volume 53, Numbers 1-2, October 2005 , pp. 69-76(8)

Publisher: Springer

DNA-Dendrimer Nanocluster Electrostatics Prediction with the Nonlinear Poisson-Boltzmann Equation

Authors: Nikakhtar, Ali; Nasehzadeh, Asadollah; Naghibi-Beidokhti, Hossein; Mansoori, G. Ali

Source: Journal of Computational and Theoretical Nanoscience, Volume 2, Number 3, September 2005 , pp. 378-384(7)

Publisher: American Scientific Publishers

Differential Scanning Calorimetry in Life Science: Thermodynamics, Stability, Molecular Recognition and Application in Drug Design

Authors: Bruylants, G.; Wouters, J.; Michaux, C.

Source: Current Medicinal Chemistry, Volume 12, Number 17, August 2005 , pp. 2011-2020(10)

Publisher: Bentham Science Publishers

Complexation of natural and methylated -cyclodextrins with long-chain Carboxylic acids in aqueous solutions. Calorimetric studies at 298 K

Authors: Castronuovo, Giuseppina; Niccoli, Marcella

Source: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Volume 53, Number 1, October 2005 , pp. 69-76(8)

Publisher: Springer

Equilibrated polyethylene single-molecule crystals: molecular-dynamics simulations and analytic model of the global minimum of the free-energy landscape

Authors: Larini, L.; Barbieri, A.; Prevosto, D.; Rolla, P.A.; Leporini, D.

Source: Journal of Physics: Condensed Matter, Volume 17, Number 19, 18 May 2005 , pp. L199-L208(1)

Publisher: Institute of Physics Publishing

Bilayer membrane in confined geometry: Interlayer slide and entropic repulsion

Authors: Baoukina, S.; Mukhin, S.

Source: Journal of Experimental and Theoretical Physics, Volume 99, Number 4, October 2004 , pp. 875-888(14)

Publisher: MAIK Nauka/Interperiodica

Molecular Ionics of Anion Receptor Molecules: A Microcalorimetric Study

Authors: Grell, D.; Grell, E.; Bugnon, P.; Dietrich, B.; Lehn, J.-M.

Source: Journal of Thermal Analysis and Calorimetry, Volume 77, Number 2, August 2004 , pp. 483-495(13)

Publisher: Springer

Free Energy of Ligand Binding to Protein: Evaluation of the Contribution of Water Molecules by Computational Methods

Authors: Pietro Cozzini; Micaela Fornabaio; Anna Marabotti; Donald J. Abraham; Glen E. Kellogg; Andrea Mozzarelli

Source: Current Medicinal Chemistry, Volume 11, Number 23, December 2004 , pp. 3093-3118(26)

Publisher: Bentham Science Publishers

Computational studies of protein-peptide interactions with systematic mutation of residues

Authors: Dominic F. Clare; David C. Clary

Source: Molecular Physics, Volume 102, Numbers 9-10, Numbers 9-10/10-20 May 2004 , pp. 939-951(13)

Publisher: Taylor and Francis Ltd

Protein Folding and Evolution are Driven by the Maxwell Demon Activity of Proteins

Authors: Alejandro Balbín; Eugenio Andrade

Source: Acta Biotheoretica, Volume 52, Number 3, 2004 , pp. 173-200(28)

Publisher: Springer