Jianhan Chen Research Group
Jianhan Chen Research Group
Computational Biophysics and Biomaterials

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 implicit solvent models
  • Intrinsically disordered proteins: structure, function and disease
  • Multi-scale simulations of biomolecular condensates
  • Gating and regulation of ion channel proteins
  • Statistical learning and prediction of protein function

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)

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  • Research Highlights

    TRPV4 Gating (2023)

    HyRes & Phase Separation (2023)

    BK V1/2 Predictor (2023)

    BC5: a novel agonist of BK (2022)

    HyRes2 for accurate IDP simulation (2022)

    TMEM16F activation (2022)

    Paladin: a DnaK-substrate binding predictor (2021)

    Cancer mutants on p53 structure & function (2021)

    PIP2 activation of TMEM16A CaCC (2021)

    Dynamic inibition of p53 by EGCG (2021)

    Membrane anchoring and BK gating (2020)

    Generating electricity out of "thin air" (2020)

    Atomistic simulation of fibril growth (2020)

    GPU acceleration of GBMV2/SA (2020)

    Atomistic ensemble of p53-TAD (2019)

    PIP2 regulation of TMEM16A Cl channels (2019)

    Inner Gate of TMEM16F Lipid Scramblase (2019)

    How residual structures accelerate binding (2018)

    Folding of GB1p hairpins (2018)

    Hydrophobic gating of BK channels (2018)

    HyRes for CG modeling of IDPs (2017)

    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)

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