AutoDock is a suite of C programs used to predict the bound conformations of a small, flexible
ligand to a macromolecular target of known structure. The technique combines simulated …

Results The evidence supports that there are a number of biologically plausible mechanisms
whereby physical activity can influence cancer risk, and that physical activity is beneficial …

… Preliminary observations using neutron autoradiography suggest that BPA and BSH have
a similar microdistribution at the level of the dermis (Morris, unpublished). The clinical im…

We describe the testing and release of AutoDock4 and the accompanying graphical user
interface AutoDockTools. AutoDock4 incorporates limited flexibility in the receptor. Several …

… where the five G terms on the right-hand side are coefficients empirically determined using
linear … constant, K ,i and the observed free energy change of binding, G , using the equation: …

Matrix-matched calibration by natural zircon standards and analysis of natural materials as
a reference are the principle methods for achieving accurate results in microbeam U–Pb …

We have developed a simple and reproducible rat model of chronic colonic inflammation by
the intraluminal instillation of a solution containing a “barrier breaker” and a. hapten. …

180 S (A), 180/——90 s (y), 90/—acquisition where the transmitter pulses applied to the 5
spins can be phase shifted so that the B] field is directed along either the X or Y axes of the …

The authors describe the development and testing of a semiempirical free energy force field
for use in AutoDock4 and similar grid‐based docking methods. The force field is based on a …

Objective: The purpose of this multicenter, add-on, double-blind, randomized, active-control
study was to compare the efficacy and safety of presumably therapeutic (high) vagus nerve …