Bridging the Gap between QM and MM with ReaxFF: Towards
Accurate Reactive Molecular Dynamics of Enzymes

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Detailed Information on Publication Record

k 2016

Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes

TRNKA, Tomáš, Stanislav KOZMON, Igor TVAROŠKA and Jaroslav KOČA

Basic information

Original name

Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes

Authors

TRNKA, Tomáš, Stanislav KOZMON, Igor TVAROŠKA and Jaroslav KOČA

Edition

Second CCPBioSim/CCP5 Multiscale Modelling Conference, 2016

Other information

Language

English

Type of outcome

Prezentace na konferencích

Confidentiality degree

není předmětem státního či obchodního tajemství

TRNKA, Tomáš, Stanislav KOZMON, Igor TVAROŠKA and Jaroslav KOČA. Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes. In Second CCPBioSim/CCP5 Multiscale Modelling Conference. 2016.

@proceedings{1424478,
   author = {Trnka, Tomáš and Kozmon, Stanislav and Tvaroška, Igor and Koča, Jaroslav},
   booktitle = {Second CCPBioSim/CCP5 Multiscale Modelling Conference},
   language = {eng},
   title = {Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes},
   year = {2016}
}

TY  - CONF
ID  - 1424478
AU  - Trnka, Tomáš - Kozmon, Stanislav - Tvaroška, Igor - Koča, Jaroslav
PY  - 2016
TI  - Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes
ER  -

TRNKA, Tomáš, Stanislav KOZMON, Igor TVAROŠKA and Jaroslav KOČA. Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes. In \textit{Second CCPBioSim/CCP5 Multiscale Modelling Conference}. 2016.

Detailed Information on Publication Record

Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes

Basic information

Original name

Authors

Edition

Other information

Language

Type of outcome

Confidentiality degree

Tags

Citovat