Showing results (21-30 of 113) with videos related to
Sort By:
Pageof 12
Biochimica Et Biophysica Acta|December 27, 2015
Molecular simulation of nonfacilitated membrane permeationErnest Awoonor-Williams, Christopher N RowleyJournal of Computer-Aided Molecular Design|July 11, 2015
Automated computational screening of the thiol reactivity of substituted alkenesJennifer M Smith, Christopher N RowleyJournal of Chemical Information and Modeling|September 30, 2021
Modeling the Binding and Conformational Energetics of a Targeted Covalent Inhibitor to Bruton's Tyrosine KinaseErnest Awoonor-Williams, Christopher N RowleyThe Journal of Physical Chemistry. A|May 7, 2014
Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilitiesA Leif Hickey, Christopher N RowleyThe Journal of Chemical Physics|January 23, 2017
The hydration structure of carbon monoxide by ab initio methodsErnest Awoonor-Williams, Christopher N RowleyJournal of Chemical Theory and Computation|August 20, 2016
Evaluation of Methods for the Calculation of the pKa of Cysteine Residues in ProteinsErnest Awoonor-Williams, Christopher N RowleyChemical Science|June 4, 2021
Simulating protein-ligand binding with neural network potentialsShae-Lynn J Lahey, Christopher N RowleyJournal of Chemical Theory and Computation|August 28, 2018
Bond Type Restricted Property Weighted Radial Distribution Functions for Accurate Machine Learning Prediction of Atomization EnergiesMykhaylo Krykunov, Tom K WooChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 11, 2005
Dynamic evolution of Kohn-Sham electron density in the real-time domain with finite basis expansionAnguang Hu, Tom K WooThe Journal of Physical Chemistry. B|July 13, 2022
Interaction between Antimicrobial Peptide Magainin 2 and Nonlipid Components in the Bacterial Outer EnvelopeSheyla Montero Vega, Valerie Booth, Christopher N RowleyPageof 12