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Rapid parameterization of small molecules using the force field toolkit.

C. Mayne, J. Saam, K. Schulten, E. Tajkhorshid, and J. Gumbart. J. Comput. Chem., 34 (32): 2757-2770 (2013)

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Emadeddin Tajkhorshid

Ashkabous Emadi

Iraj Emadodin

Masoumeh Emadpour

Emad Ghanim

Other publications of authors with the same name

VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations.M. Spivak, J. Stone, J. Ribeiro, J. Saam, P. Freddolino, R. Bernardi, and E. Tajkhorshid. J. Chem. Inf. Model., 63 (15): 4664-4678 (August 2023)Efficient Exploration of Membrane-Associated Phenomena at Atomic ResolutionJ. Vermaas, J. Baylon, M. Arcario, M. Muller, Z. Wu, T. Pogorelov, and E. Tajkhorshid. (2015)Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus.D. Hardy, J. Stone, B. Isralewitz, and E. Tajkhorshid. UrgentHPC@SC, page 1-10. IEEE, (2021)Rapid parameterization of small molecules using the force field toolkit.C. Mayne, J. Saam, K. Schulten, E. Tajkhorshid, and J. Gumbart. J. Comput. Chem., 34 (32): 2757-2770 (2013)TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD.J. Vermaas, D. Hardy, J. Stone, E. Tajkhorshid, and A. Kohlmeyer. J. Chem. Inf. Model., 56 (6): 1112-1116 (2016)End-to-end AI Framework for Hyperparameter Optimization, Model Training, and Interpretable Inference for Molecules and Crystals.H. Park, R. Zhu, E. Huerta, S. Chaudhuri, E. Tajkhorshid, and D. Cooper. CoRR, (2022)Classical force field parameters for the heme prosthetic group of cytochrome c.F. Autenrieth, E. Tajkhorshid, J. Baudry, and Z. Luthey-Schulten. J. Comput. Chem., 25 (13): 1613-1622 (2004)Assembly and Analysis of Cell-Scale Membrane Envelopes.J. Vermaas, C. Mayne, E. Shinn, and E. Tajkhorshid. J. Chem. Inf. Model., 62 (3): 602-617 (2022)Prediction of Diblock Copolymer Morphology via Machine Learning.H. Park, B. Yu, J. Park, G. Sun, E. Tajkhorshid, J. de Pablo, and L. Schneider. CoRR, (2023)GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale.H. Park, X. Yan, R. Zhu, E. Huerta, S. Chaudhuri, D. Cooper, I. Foster, and E. Tajkhorshid. CoRR, (2023)

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Disambiguation of "Tajkhorshid, Emad"

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Rapid parameterization of small molecules using the force field toolkit.

Please choose a person to relate this publication to

Emadeddin Tajkhorshid

Ashkabous Emadi

Iraj Emadodin

Masoumeh Emadpour

Emad Ghanim

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Tajkhorshid, Emad"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Rapid parameterization of small molecules using the force field toolkit.

Please choose a person to relate this publication to

Emadeddin Tajkhorshid

Ashkabous Emadi

Iraj Emadodin

Masoumeh Emadpour

Emad Ghanim

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Rapid parameterization of small molecules using the force field toolkit.