vav2.chem.temple.edu

voelzlab.org

Code - voelzlab

http://www.voelzlab.org/software

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). Bayesian inference of conformational populations (BICePs), an method to infer populations from. A combination of computational models and sparse experimental observables. A python package for experimenting with the two-dimensional HP lattice model of proteins. Voelz Lab code repository. Python tools for calculating rate spectra from noisy time course data.

voelzlab.org

Group Calendar - voelzlab

http://www.voelzlab.org/group-calendar

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO).

voelzlab.org

New paper on molecular simulation of MDM2-p53 - voelzlab

http://www.voelzlab.org/project-updates/newpaperonmolecularsimulationofmdm2-p55

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). New paper on molecular simulation of MDM2-p53. Posted Jul 17, 2015, 7:21 PM. By Vincent Voelz [ updated Jul 17, 2015, 7:21 PM. Congrats to George Pantelopulos on the publication of his first-author paper " Microsecond simulations of MDM2 and its complex with p53 yield insight into force field accuracy and conformational dynamics.

voelzlab.org

Asghar Razavi awarded 2015 Swern Fellowship - voelzlab

http://www.voelzlab.org/project-updates/asgharrazaviwins2015swernfellowship

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). Asghar Razavi awarded 2015 Swern Fellowship. Posted Jul 17, 2015, 7:11 PM. By Vincent Voelz [ updated Jul 17, 2015, 7:11 PM. Asghar Razavi has been awarded the 2015 Swern Fellowship for outstanding graduate research in chemistry. Congrats Asghar!

voelzlab.org

School on Molecular Dynamics and Enhanced Sampling Methods - voelzlab

http://www.voelzlab.org/project-updates/schoolonmoleculardynamicsandenhancedsamplingmethods

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). School on Molecular Dynamics and Enhanced Sampling Methods. Posted Jul 17, 2015, 6:35 PM. On July 6-10, the Klein, Voelz and Levy labs successfully hosted a free School on Molecular Dynamics and Enhanced Sampling Methods. The hands-on tutorials from our group ( MDTraj. We hope to post our tutorial slides and materials from this soon. - Vince.

voelzlab.org

Publications - voelzlab

http://www.voelzlab.org/publications

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). Simulations and kinetic network models reveal p53-MDM2 binding mechanisms, pathways and rates. Zhou, George A. Mukherjee, and Vincent Voelz. Submitted. Markov models of the apo-MDM2 lid region reveal diffuse yet two-state binding dynamics and receptor poses for computational docking. Tae-Young Kim, Vincent Voelz and. Asghar M. Razavi,. Joshua R. Berlin,.

voelzlab.org

News - voelzlab

http://www.voelzlab.org/project-updates

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). XSEDE supercomputing allocation awarded to Voelz Lab. Posted Mar 26, 2016, 9:56 PM. By Vincent Voelz [ updated Mar 26, 2016, 9:58 PM. Our group was recently awarded with an XSEDE. Supercomputing allocation on TACC Stampede. For our continuing work on "M. Olecular simulation and kinetic network modeling of protein folding mechanisms", funded through the NSF (.

voelzlab.org

People - voelzlab

http://www.voelzlab.org/the-team

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). Assistant Professor of Chemistry. Institute for Computational Molecular Science. Institute for Computational Biomedicine. Weill Cornell Medical College, NYC. Graduate Program in Chemistry,. Graduate Program in Physics and Astronomy, Michigan State University. Temple University Medical School. Graduate Program in Physics,.

voelzlab.org

Teaching - voelzlab

http://www.voelzlab.org/teaching

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). Physical Chemistry I - CHEM 3301 (Spring 2014). Quantum Chemistry - CHEM 5301 (Fall 2011, 2012, 2013). Physical Chemistry of Biomolecules - CHE 3405 (Spring 2013). Physical Chemistry II - CHEM 3302 (Fall 2015). Structural Bioinformatics I - BIO5541 (Fall 2015). Introduction to the UNIX command line. Sep 28, 2015. Sep 28, 2015. Oct 5, 2015. July 6-10, 2015:.

voelzlab.org

Using MSMs to study the effect of tryptophan mutations on folding - voelzlab

http://www.voelzlab.org/project-updates/usingmsmstostudytheeffectoftryptophanmutationsonfolding

Institute for Computational Molecular Science. College of Science and Technology. Fox Chase Cancer Center. Computational Research On Owlsnest (CROO). Using MSMs to study the effect of tryptophan mutations on folding. Posted Apr 26, 2015, 2:29 PM. By Vincent Voelz [ updated Apr 26, 2015, 2:30 PM. In a new paper. We describe our efforts to use Markov State Models (MSMs) to study the how tryptophan mutations affect the folding and conformational dynamics of a series of model beta-hairpin peptides. The exist...