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Welcome to the former web home for the David LeBard laboratory at Yeshiva University. While David has left academia and now conducts industrial drug discovery research as the Head of Enhanced Sampling at OpenEye, Cadence Molecular Sciences, this site will be maintained for posterity... or until it gets boring.

In this group we use computational and theoretical approaches to solve problems in biochemistry and biophysics.

LeBard Lab News

* A highly collaborative experimental-theoretical paper discussing the polymer length dependence of T Cell Receptor triggering by polymer-tethered pMHC ligands has been published in PLoS One (November 2014).

* An invited review highlighting GPU-based simulations of biological materials has been published in a special issue on Recent Advances in Molecular Biology in Molecular Simulation (April 2014).

* A paper on the magnesium-dependent binding of RNA to a PA endonuclease from an avian influenza polymerase has been published in the Journal of Physical Chemistry B (January 2014).

* A new communication discussing the initial electron transfer reaction in a bacterial bc1 complex has been published in the Journal of Physical Chemistry Letters (October 2013).

* Natan Tracer and Yosef Frenkel join the lab (Fall 2013). Welcome Natan and Yosef!

* A new paper discussing the influence of protein dynamics in the optimization of bacterial photosynthesis reaction centers has been published in Chemical Science (August 2013).

* A new paper on the binding of general anesthetics to a voltage-gated sodium channel has been published in PLoS Computational Biology (June 2013).

* Joshua Skootsky joins the lab (Spring 2013). Welcome Joshua!