Friday, March 12, 2010

ACS Webinars

Notes on this webinar can be turned in to Karen Renneke
for Seminar Credit.
"Staying ahead of the game: Recent innovations in computational methods for drug discovery"

Looking for new ideas in your research projects? Want to know if computational methods can help? Knowing when to use a certain tool in your research is as crucial as deciding whether you should use it. Advances in computational methods have greatly sped up drug discovery, but it is not without its setbacks. Our speaker will discuss the successes of computational modeling and how to benefit from failures and avoid costly mistakes. Join us as we probe the secrets of when to deploy computational methods and how to get the innovations you want.
A short presentation followed by Q&A with Woody Sherman, Vice President of Applications Science at Schrödinger Inc. This event will be moderated by Karen Rossi, This event will be moderated by Karen Rossi, a scientist with over a decade of computer-aided drug design experience in various therapeutic projects at Bristol Myers Squibb and DuPont Pharmaceuticals.

What You Will Learn
- How recent innovations in computational methods can impact my projects.
- When should I use (and not use) molecular modeling in my projects
- What can I learn from past successes in computer-aided drug design.
- Guidance to getting where I want faster; avoiding costly mistakes
- And much more...

Webinar Details
Date: Thursday, March 18, 2010
Time: 2:00-3:00 pm ET
Fee: Free
Don't miss out -
Register now!
Questions to speaker can be submitted during registration.

Who Should Attend
Executives, Entrepreneurs, Chemists, Engineers, ACS Members and Anyone Looking for New Ideas.

Meet your Expert
Dr. Woody Sherman is Vice President of Applications Science at Schrödinger Inc. He received his Ph.D. from MIT where he developed a novel method for optimizing ligand binding specificity across a panel of targets and helped develop a novel method to enhance antibody affinity that resulted in a patent. He has authored papers on induced-fit docking, binding specificity, antibody design, fragment docking, and hybrid ligand/structure-based methods. Woody is a reviewer for many top journals related to computational chemistry and drug design and is on the Editorial Board of Chemical Biology & Drug Design.

1 comment:

Dale Ritter said...

The subject of molecular modeling and computational chemistry revolves around exact prediction achieved by the data density of the atomic topological function used to model pico/femtoscale structural details for electrons, energy, and force fields. That region of analysis produces details of quantum effects and relativistic factors that determine progress in design or elucidation of bioscience projects.

Recent advancements in quantum science have produced the picoyoctometric, 3D, interactive video atomic model imaging function, in terms of chronons and spacons for exact, quantized, relativistic animation. This format returns clear numerical data for a full spectrum of variables. The atom's RQT (relative quantum topological) data point imaging function is built by combination of the relativistic Einstein-Lorenz transform functions for time, mass, and energy with the workon quantized electromagnetic wave equations for frequency and wavelength.

The atom labeled psi (Z) pulsates at the frequency {Nhu=e/h} by cycles of {e=m(c^2)} transformation of nuclear surface mass to forcons with joule values, followed by nuclear force absorption. This radiation process is limited only by spacetime boundaries of {Gravity-Time}, where gravity is the force binding space to psi, forming the GT integral atomic wavefunction. The expression is defined as the series expansion differential of nuclear output rates with quantum symmetry numbers assigned along the progression to give topology to the solutions.

Next, the correlation function for the manifold of internal heat capacity energy particle 3D functions is extracted by rearranging the total internal momentum function to the photon gain rule and integrating it for GT limits. This produces a series of 26 topological waveparticle functions of the five classes; {+Positron, Workon, Thermon, -Electromagneton, Magnemedon}, each the 3D data image of a type of energy intermedon of the 5/2 kT J internal energy cloud, accounting for all of them.

Those 26 energy data values intersect the sizes of the fundamental physical constants: h, h-bar, delta, nuclear magneton, beta magneton, k (series). They quantize atomic dynamics by acting as fulcrum particles. The result is the exact picoyoctometric, 3D, interactive video atomic model data point imaging function, responsive to software application keyboard input of virtual photon gain events by relativistic, quantized shifts of electron, force, and energy field states and positions. This system also gives a new equation for the magnetic flux variable B, which appears as a waveparticle of changeable frequency. Molecular modeling and chip design engineering application software developer features for programming flow are built-in.

Images of the h-bar magnetic energy waveparticle of ~175 picoyoctometers are available online at with the complete RQT atomic modeling manual titled The Crystalon Door, copyright TXu1-266-788. TCD conforms to the unopposed motion of disclosure in U.S. District (NM) Court of 04/02/2001 titled The Solution to the Equation of Schrodinger.