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Merge pull request #16 from libefp2/richy
Richy
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doc/drug.rst

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.. _drug_design_images:
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Drug-design
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************
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Small organic crystals
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----------------------
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Predicting the stability of molecular crystals remains a formidable challenge in the natural sciences.
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We perform pairwise EFP calculations on crystal lattices in a periodic box, with the aim of developing
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a computationally tractable scheme involving EFP and quantum mechanical methods like SAPT to aid crystal
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structure predictions.
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Acetic Acid Clusters
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~~~~~~~~~~~~~~~~~~~~
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.. image:: ../images/aa_img.jpg
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:width: 320
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:align: left
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.. image:: ../images/aa_box_1.png
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:width: 320
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:align: right
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doc/photo.rst

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.. _photosynthesis_images:
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Photosynthesis
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Photoactive complexes
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In the aim of understanding the structure-spectroscopy relationship for photoactive complexes
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such as **Fenna-Matthews-Olson (FMO)**, and **Photosystem I** complexes, excited state calculation
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has been performed with EFP calculation in the form of polarizable embedding QM/EFP.
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Fenna-Matthews-Olson (FMO) complex
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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.. image:: ../images/FMO_trimer_BCLs.bmp
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:width: 300
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.. image:: ../images/FMO_mon_pigs.bmp
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:width: 300
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Photosystem I
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~~~~~~~~~~~~~
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.. image:: ../images/PS1_topdown.bmp
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:width: 300
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.. image:: ../images/PS1_RC_gho.bmp
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:width: 320

images/PS1_RC_gho.bmp

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images/PS1_topdown.bmp

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images/aa_box.jpg

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images/aa_box_1.png

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images/aa_img.jpg

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images/drug_design.png

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images/photo.png

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videos/parameters.mp4

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