Chen Research Group
Computational Biochemistry & Biophysics

Welcome to the Chen Research Group!

We use computer modeling as a primary tool to understand how biomolecules perform their biological functions, via stable 3D structures, or, equally important, lack of stable structures.

Current focus areas:

  • Advanced sampling techniques and accurate implicit solvent models
  • Intrinsically disordered proteins: structure, function and disease
  • Multi-scale simulation of fibril growth and nucleation
  • Computational characterization and design of novel functional peptides
  • Advanced software for molecular modeling of small angle scattering

学而不思则罔,思而不学则殆 (孔子)
Learning without (critical) thinking leads to perplexity,
while thinking without learning ends in danger (Confucius).

Open Positions:

We constantly look for bright undergraduate and graduate students. Students expect to receive training and pursue research in computational biochemistry and biophysics, but will also have opportunities to work in experimental labs. General background and interest in biochemistry, biophysics, and/or computer programming is necessary. We will consider strong candidates for postdoctoral positions. Please direct your inquiry to Jianhan Chen via .

Life Science Laboratories, Suite S585
240 Thatcher Way, Amherst, MA 01003-9364
Phone: 413-545-3386 (o) -3365(lab)

  • Amherst is one of the "Super Cool Cities"
  • UMass Amherst has the best campus food!
  • Research Highlights

    Multi-Scale Simulations of Fibril Growth (2017)

    MSES Tuning of GBMV Forcefield (2017)

    CG modeling of flexible peptides (2016)

    Structurs of p53-TAD cancer mutations (2015)

    MSES for IDPs (2015)

    Replica exchange w/ guided annealing (RE-GA) (2014)

    Multiscale enhanced sampling (MSES) (2014)

    BAPC: Branched Amphiphilic Peptide Capsule (2013)

    Electrostatic acceleration of IDP recognition (2013)

    Effects of flanking loops in membrane insertion (2013)

    Efficiency of adaptive temperature REX (2013)

    Conformational Heterogeneity in p53/S100B (2013)

    Novel vesicle-forming branched peptides (2012)

    Electrostatically accelerated IDP binding (2012)

    Synergistic folding of IDPs (2012)

    Topology-based modeling of IDPs (2011)

    Conformational flexibility of p21 (2011)

    Structures of synthetic channels (2010)

    GPCR TM structure prediction (2010)

    Calculation of disordered ensembles (2009)

    How does p53 fold & bind to S100B? (2009)

    Phosphorylation regulation of KID (2009)

    Implicit treatment of nonpolar solvation (2008)

    ab initio folding of Trp-Cage (2006)

    | LSL S585 | IALS | Chemistry | Biochem & Mol Biol | UMass Amherst