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Physical Review. E|October 15, 2016
Structural analysis of high-dimensional basins of attractionStefano Martiniani, K Julian Schrenk, Jacob D Stevenson, et al.The Journal of Chemical Physics|October 23, 2017
Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switchTristan Cragnolini, Debayan Chakraborty, Jiří Šponer, et al.Chemical Communications (Cambridge, England)|May 11, 2017
Exploring biomolecular energy landscapesJerelle A Joseph, Konstantin Röder, Debayan Chakraborty, et al.Journal of Chemical Theory and Computation|October 27, 2015
Computational investigation of RNA CUG repeats responsible for myotonic dystrophy 1Ilyas Yildirim, Debayan Chakraborty, Matthew D Disney, et al.Physical Chemistry Chemical Physics : PCCP|September 29, 2015
How to make a porphyrin flip: dynamics of asymmetric porphyrin oligomersCheng Shang, Julian M Philpott, Nick Bampos, et al.The Journal of Chemical Physics|November 17, 2014
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange methodQing Lu, Jaegil Kim, James D Farrell, et al.Biomedical Informatics Insights|June 23, 2017
Using Transfer Learning for Improved Mortality Prediction in a Data-Scarce Hospital SettingThomas Desautels, Jacob Calvert, Jana Hoffman, et al.Journal of the American Chemical Society|April 9, 2020
Affinity-Selected Bicyclic Peptide G-Quadruplex Ligands Mimic a Protein-like Binding MechanismKim C Liu, Konstantin Röder, Clemens Mayer, et al.Journal of Computational Chemistry|January 19, 2010
Symmetrization of the AMBER and CHARMM force fieldsEdyta Małolepsza, Birgit Strodel, Mey Khalili, et al.The Journal of Chemical Physics|February 9, 2010
Interpolation schemes for peptide rearrangementsMarianne S Bauer, Birgit Strodel, Szilard N Fejer, et al.Pageof 30