Emad Tajkhorshid

4PUBLICATIONS
32CO-AUTHORS
Electrostatics and electrodynamicsModelling and simulationBiomolecular modelling and designFormal methods for software
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Publications (4)

|Mar 16, 2021
Classical molecular dynamics.

Charles L Brooks, David A Case, Steve Plimpton

|Dec 23, 2020
Confronting pitfalls of AI-augmented molecular dynamics using statistical physics.

Shashank Pant, Zachary Smith, Yihang Wang

|Nov 03, 2020
Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison.

Yui Tik Pang, Anna Pavlova, Emad Tajkhorshid

|Aug 06, 2020
Scalable molecular dynamics on CPU and GPU architectures with NAMD.

James C Phillips, David J Hardy, Julio D C Maia

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Frequent Collaborators

2 joint publications

Benoît Roux

1 joint publications

James C Phillips

1 joint publications

David J Hardy

1 joint publications

Julio D C Maia