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The Journal of Physical Chemistry. B|May 1, 2012
Free energy of separation of structure II clathrate hydrate in water and a light oilBjørn Steen Sæthre, David van der Spoel, Alex C HoffmannChemical Research in Toxicology|September 8, 2016
Binding of Pollutants to Biomolecules: A Simulation StudyAhmet Yildirim, Jin Zhang, Sergio Manzetti, et al.Biochemistry|January 22, 2009
Encapsulation of myoglobin in a cetyl trimethylammonium bromide micelle in vacuo: a simulation studyYaofeng Wang, Daniel S D Larsson, David van der SpoelJournal of Biomolecular Structure & Dynamics|December 25, 2003
Molecular dynamics simulations of peptides from the central domain of smooth muscle caldesmonCraig M Shepherd, David van der Spoel, Hans J VogelThe Journal of Physical Chemistry. B|January 6, 2016
Atomistic Simulation of Protein Encapsulation in Metal-Organic FrameworksHaiyang Zhang, Yongqin Lv, Tianwei Tan, et al.ACS Omega|December 21, 2019
Rotational and Translational Diffusion of Proteins as a Function of ConcentrationZahedeh Bashardanesh, Johan Elf, Haiyang Zhang, et al.The Journal of Physical Chemistry. B|October 3, 2012
Molecular recognition in different environments: β-cyclodextrin dimer formation in organic solventsHaiyang Zhang, Tianwei Tan, Wei Feng, et al.Journal of the American Chemical Society|March 1, 2012
Large influence of cholesterol on solute partitioning into lipid membranesChristian L Wennberg, David van der Spoel, Jochen S HubACS Omega|September 10, 2019
Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry MethodsDavid van der Spoel, Sergio Manzetti, Haiyang Zhang, et al.Journal of Chemical Information and Modeling|September 15, 2016
Evaluation of Generalized Born Models for Large Scale Affinity Prediction of Cyclodextrin Host-Guest ComplexesHaiyang Zhang, Chunhua Yin, Hai Yan, et al.Pageof 12