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Journal of Molecular Graphics & Modelling|November 29, 2016
Elucidating a chemical defense mechanism of Antarctic sponges: A computational studySai Lakshmana Vankayala, Fiona L Kearns, Bill J Baker, et al.
International Journal of Molecular Sciences|September 16, 2020
Ameliorative Properties of Boronic Compounds in In Vitro and In Vivo Models of Alzheimer's DiseasePanchanan Maiti, Jayeeta Manna, Zoe N Burch, et al.
The Journal of Physical Chemistry. A|December 13, 2007
Dimers of boroglycine and methylamine boronic acid: a computational comparison of the relative importance of dative versus hydrogen bondingJoseph D Larkin, Matt Milkevitch, Krishna L Bhat, et al.
The Journal of Physical Chemistry. A|September 8, 2006
Structure of the boronic acid dimer and the relative stabilities of its conformersJoseph D Larkin, Krishna L Bhat, George D Markham, et al.
The Journal of Physical Chemistry. A|June 28, 2007
A computational investigation of the geometrical structure and protodeboronation of boroglycine, H2N-CH2-B(OH)2Joseph D Larkin, Krishna L Bhat, George D Markham, et al.
The Journal of Physical Chemistry. A|August 19, 2008
A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BOJoseph D Larkin, Krishna L Bhat, George D Markham, et al.
Journal of Chemical Theory and Computation|June 22, 2011
MSCALE: A General Utility for Multiscale ModelingH Lee Woodcock, Benjamin T Miller, Milan Hodoscek, et al.
Journal of Computational Chemistry|November 6, 2021
CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocolSai L Vankayala, Luke C Warrensford, Amanda R Pittman, et al.
Journal of the American Chemical Society|March 31, 2017
Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide SensorsBrette M Chapin, Pedro Metola, Sai Lakshmana Vankayala, et al.
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