ICM Manual v.3.9
by Ruben Abagyan,Eugene Raush and Max Totrov Copyright © 2020, Molsoft LLC Nov 14 2024
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[ erm23 | erm22 | afa94 | abo87 | all93 | ber77 | con83 | cri88 | eis86 | flo98 | fri96 | gon92 | hah93 | hal95 | hal99 | hei92 | hig92 | hut94 | kab83 | kly96 | kyt82 | mcl79 | mom75 | nee70 | nem83 | nem92 | pea88 | sai87 | shr73 | tho94 | thg94 | vea91 | wei86 | wei88 | wes92 | wil84 | zha92 ]
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Eugene Raush, Ruben Abagyan, Maxim Totrov (2024)
Efficient Generation of Conformer Ensembles Using Internal Coordinates and a Generative Directional Graph Convolution Neural Network
Journal of Chemical Theory and Computation
Eugene Raush, Ruben Abagyan, Maxim Totrov (2022)
Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules
J Chem Inf Model. 2022 Dec 12;62(23):5896-5906
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