Mrinal Shekhar

CryoFold: Ab-initio structure determination from electron density maps using molecular dynamics

Genki Terashi, Daisuke Kihara, Petra Fromme, 2019 .

Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials

Christopher N Rowley, Daipayan Sarkar, Sumit Mittal, 2020, J. Chem. Inf. Model..

MDFF Error Analysis: A Tool for Determining Stereochemical and Thermodynamic Correct Structures

Robert D. Skeel, Daipayan Sarkar, Jane S. Richardson, 2019 .

Constructing atomic structural models into cryo-EM densities using molecular dynamics - Pros and cons.

Christopher J. Williams, Darren Thifault, Christopher J Williams, 2018, Journal of structural biology.

Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM

Emad Tajkhorshid, Mrinal Shekhar, Eric Gouaux, 2017, Cell.

XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.

Anton Barty, Mark Hunter, Darren Thifault, 2020, Structure.

CryoEM Models and Associated Data Submitted to the 2015/2016 EMDataBank Model Challenge

Takeshi Kawabata, Haruki Nakamura, Genki Terashi, 2018 .

Retrieving functional pathways of biomolecules from single-particle snapshots

Joachim Frank, Peter Schwander, Abbas Ourmazd, 2020, Nature Communications.