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Journal of Computer-Aided Molecular Design|March 1, 2020
Performing solvation free energy calculations in LAMMPS using the decoupling approachVikram Khanna, Jacob I Monroe, Michael F Doherty, et al.Proteins|June 19, 2013
Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulationsJacob I Monroe, Walid G El-Nahal, Michael R ShirtsPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 7, 2003
Generalization of the Wang-Landau method for off-lattice simulationsM Scott Shell, Pablo G Debenedetti, Athanassios Z PanagiotopoulosThe Journal of Physical Chemistry. B|July 21, 2006
Novel computational probes of diffusive motionM Scott Shell, Pablo G Debenedetti, Frank H StillingerThe Journal of Chemical Physics|January 3, 2016
The impact of resolution upon entropy and information in coarse-grained modelsThomas T Foley, M Scott Shell, W G NoidPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 21, 2002
Molecular structural order and anomalies in liquid silicaM Scott Shell, Pablo G Debenedetti, Athanassios Z PanagiotopoulosProteins|November 15, 2005
Computational characterization of the sequence landscape in simple protein alphabetsM Scott Shell, Pablo G Debenedetti, Athanassios Z PanagiotopoulosThe Journal of Chemical Physics|February 4, 2024
Surveying the energy landscape of coarse-grained mappingsKatherine M Kidder, M Scott Shell, W G NoidPhysical Review Letters|February 3, 2004
Saddles in the energy landscape: extensivity and thermodynamic formalismM Scott Shell, Pablo G Debenedetti, Athanassios Z PanagiotopoulosLangmuir : the ACS Journal of Surfaces and Colloids|December 20, 2023
Relationships between Water's Structure and Solute Affinity at Polypeptoid Brush SurfacesSally Jiao, Dennis C Robinson Brown, M Scott ShellPageof 11