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Mapping Conformational Ensembles of Aβ Oligomers in Molecular Dynamics SimulationsKim, Seongwon; Takeda, Takako; Klimov, Dmitri K. · Biophysical Journal · 2010
Analyzing a Conformational Sampling of LeuT from Accelerated Molecular Dynamics SimulationsThomas, James R.; Gedeon, Patrick C.; Madura, Jeffry D. · Biophysical Journal · 2014
A generalized conformational energy function of DNA derived from molecular dynamics simulationsYamasaki, S.; Terada, T.; Shimizu, K.; Kono, H.; Sarai, A. · Nucleic Acids Research · 2009
Conformational Analysis of a Tetrasaccharide Based on NMR Spectroscopy and Molecular Dynamics SimulationsLandersjö, Clas; Jansson, Jennie L. M.; Maliniak, Arnold; Widmalm, Göran · 2005
Characterization of the conformational and orientational dynamics of ganglioside GM1 in a dipalmitoylphosphatidylcholine bilayer by molecular dynamics simulationsRonak Y. Patel; Petety V. Balaji · 2007
Structural And Conformational Analysis Of A Peptide-Detergent Complex By Molecular Dynamics SimulationsKhao, Jonathan; Duneau, Jean-Pierre; Sturgis, James N. · Biophysical Journal · 2009
Molecular dynamics simulations of the conformational behaviour of the synthetic dipeptide PIDOTIMOD, a new immunostimulating agentVincenzo Villani; Rachele Pucciariello · 1994
Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test CaseMalloci, Giuliano; Serra, Giovanni; Bosin, Andrea; Vargiu, Attilio · Computation · 2016
Catalysis Science of Bulk Mixed OxidesWachs, Israel E.; Routray, Kamalakanta · ACS Catalysis · 2012
Acyclic Aminocarbenes in CatalysisSlaughter, LeGrande M. · ACS Catalysis · 2012
Heterogeneous Catalytic Homocoupling of Terminal AlkynesAlonso, Francisco; Yus, Miguel · ACS Catalysis · 2012
Design of Novel Structured Gold NanocatalystsMa, Zhen; Dai, Sheng · ACS Catalysis · 2011
Baeyer–Villiger Oxidation Using Hydrogen PeroxideUyanik, Muhammet; Ishihara, Kazuaki · ACS Catalysis · 2013
Tuning P450 Enzymes as Oxidation CatalystsFasan, Rudi · ACS Catalysis · 2012
Thermoresponsive Hydrogels in CatalysisHapiot, Frédéric; Menuel, Stéphane; Monflier, Eric · ACS Catalysis · 2013
Illuminating Photoswitchable CatalysisNeilson, Bethany M.; Bielawski, Christopher W. · ACS Catalysis · 2013