November 18, 2015
Our joint project with Drs. Zolkiewski and Prakash has been funded by NIGMS through a 5-year competitive R01 grant! The project aims to develop multi-scale enhanced sampling techniques for IDPs and to combine simulation with experiment to determine how the structure and interactions of p53 transactivation domain may be affected by post-translational modifications and cancer-associated mutations.
August 25, 2015
We welcome Pavithra Natarajan to the lab as a rotation graduate student!
August 18, 2015
We received a Bridging Grant from K-INBRE to support work on p53 transactivation domain. This grant will allow
Weihong to return to Manhattan to continue his development of the MSES method. Welcome back, Weihong!
July 28, 2015
Congratulations to Xiaorong and Alex for having their first papers from K-State accepted by Biophysical Journal. Their work combine structural analysis and atomisitc simulation to demonstrate that the BH3-only protein binding interface of anti-apoptotic protein Bcl-xL is highly dynamic and poised to adopt alternative conformations in response to ligand binding.
June 08, 2015
We welcome in-coming K-State freshman Samantha Gameros to the lab! Samantha will work jointly with Prof. Davis to understand how plants regulate boric acid uptake.
May 18, 2015
Congratulations to Michael for receiving admision with full scholarship (!) to his dream law school! Best of luck with your next adventure, Michael!
May 15, 2015
Congratulations to Kuo Hao for having his first paper at K-State accepted by JCC, which is titled "Multiscale Enhanced Sampling of Intrinsically Disordered Protein Conformations"! (JCC)
May 5, 2015
Congratulations to Xiaorong for passing her PhD preliminary exam!
March 25, 2015
Our work on examining the modulation of the disordered conformational ensembles of the p53 Transactivation Domain (TAD) by cancer-associated mutations has been accepted by PLoS Comput Biol.
August 18, 2014
Our joint project with Dr. Jeremy Schmit's lab in Physics has been funded by NIGMS through a 5-year competitive R01 grant! The project aims to develop a multi-scale approach that integrates theory and simulation to understand the mechanism and kinetics of amyloid growth.
August 15, 2014
We welcome Xiaorong Liu to the group! Xiaorong received her B.S. in Applied Chemistry and Master in Chemical Biology from Wuhan University. She has also spent two years in Delaware (with Sandeep Patel) before transfering to K-State.
July 25, 2014
Arianna concluded her successful SUROP summer project with a presentation titled "Protein interactions in cell apoptosis" at the SUROP final event.
(Arianna accepting her SUROP certificate from Dean Shanklin)
July 07, 2014
Congratulations to Weihong for successful defense of his PhD dissertation titled "Multi-Scale Simulations Of Intrinsically Disordered Proteins And Development Of Enhanced Sampling Techniques"!
(Alex and Weihong Graduation Party at Jianhan's house; Click above for more photos)
June 17, 2014
Congratulations to Michael for receiving a $1000 Undergraduate Research
Scholarship from the College of Arts and Sciences!
June 17, 2014
Congratulations to Alex for successful defense of his master thesis on
"Understanding amyloid fibril growth through theory and simulation"!
May 03, 2014
Congratulations to Debabani on winning a very prestigious Ramalingaswami Re-entry Fellowship from the Department of Biotechnology in India. The followship will provide Rs. 32.5 lakhs research support over five years.
April 23, 2014
We welcome Arianna Vessal, who is joining us
during the summer as a participant of the K-State Summer
Undergraduate Research Opportunity Program (SUROP). Arianna is
currently a sophomore in Biochemistry at Virginia Tech.
April 4, 2014
Congratulations to Michael Mohan for receiving a Cancer Research Award from the Johnson Center for Basic Cancer Research.
(Eleanor Deibler (L) & Jan Woodyard present the VFW Post 1786 Award to Michael Mohan at the Award Banquet)
April 2, 2014
We received an Innovative Research Award from the Johnson Center for Basic Cancer Research to study the mechanism for facile binding of BH3-only proteins to the pro-survival protein Bcl-w.
March 25, 2014
Congratulations to Weihong for winning the 2013 Graduate Research Award, the highest recognition the Department of Biochemistry and Molecular Biophysics offers to graduate students who have achieved an outstanding level of research excellence.
February 03, 2014
We welcome Kuo Hao (Bruce) Lee and Zhiguang
Jia to the lab! Dr. Lee is
from Taiwan and earned his PhD in Physics from University of Idaho
(with F. Marty Ytreberg) in 2012. Dr. Jia is from Beijing and earned
his PhD in Biochemistry from University of Queensland (with Alan
Mark) in 2013.
(Welcome/Chinese New Year celebration at Jianhan's house)
January 28, 2014
Warm congratulations to Weihong for getting his paper on a very nice
multi-scale enhanced sampling (MSES) method accepted by JCTC as a
Letter. The method addresses one of the key limitations in the
popular temperature replica exchange (T-RE) sampling technique for simulating
large-scale conformational transitions such as protein folding. The
basic idea is to couple efficient topology-based coarse-grained
models with all-atom ones to enhance the sampling of atomistic
protein energy landscape. The bias from the coupling is removed by
Hamiltonian replica exchange, thus allowing one to benefit
simultaneously from faster transitions of coarse-grained modeling
and accuracy of atomistic force fields.
|| (all replicas in MSES
sample similar and complete conformational space, while replicas in
traditional T-RE are trapped in various major states)