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The Journal of Physical Chemistry. B|March 21, 2017
Improving Computational Predictions of Single-Stranded RNA Tetramers with Revised α/γ Torsional Parameters for the Amber Force FieldDavid J Wales, Ilyas YildirimBiochemistry|September 29, 2018
Analysis of the Ub to Ub-CR Transition in UbiquitinKonstantin Röder, David J WalesJournal of Chemical Theory and Computation|November 27, 2015
Computer Simulations of Peptides from the p53 DNA Binding DomainMey Khalili, David J WalesFrontiers in Molecular Biosciences|February 14, 2022
The Energy Landscape Perspective: Encoding Structure and Function for BiomoleculesKonstantin Röder, David J WalesThe Journal of Physical Chemistry Letters|October 10, 2018
Mutational Basin-Hopping: Combined Structure and Sequence Optimization for BiomoleculesKonstantin Röder, David J WalesThe Journal of Physical Chemistry Letters|November 5, 2019
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force FieldsDavid Furman, David J WalesPhysical Review Letters|May 18, 2013
Defect motifs for constant mean curvature surfacesHalim Kusumaatmaja, David J WalesPhysical Review Letters|June 4, 2008
Tilted and helical columnar phases for an axially symmetric discoidal systemDwaipayan Chakrabarti, David J WalesJournal of Chemical Theory and Computation|September 27, 2019
Nested Basin-SamplingMatthew Griffiths, David J WalesPhysical Chemistry Chemical Physics : PCCP|December 13, 2016
Probing helical transitions in a DNA duplexDebayan Chakraborty, David J WalesPageof 30