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■ Search Result - Abbreviation : QM/MM

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Abbreviation: QM/MM
Appearance Frequency: 1447 time(s)
Long forms: 17

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Long Form No. Long Form Research Area Co-occurring Abbreviation PubMed/MEDLINE Info. (Year, Title)
quantum mechanics/molecular mechanics
(1390 times)
Chemistry
(951 times)
MD (231 times)
DFT (100 times)
QM (38 times)
1994 The hydration and solvent polarization effects of nucleotide bases.
quantum and molecular mechanics
(33 times)
Chemistry
(28 times)
DFT (6 times)
FEP (3 times)
FAAH (2 times)
2004 Combined quantum and molecular mechanics (QM/MM).
quantum mechanics (QM), combined QM and molecular mechanics
(4 times)
Chemistry
(4 times)
QM (4 times)
MD (3 times)
HFOH (2 times)
2013 Effect of Geometry Optimizations on QM-Cluster and QM/MM Studies of Reaction Energies in Proteins.
QM and molecular mechanical
(3 times)
Chemistry
(2 times)
QM (3 times)
hyd (1 time)
OPLS-AA (1 time)
2008 Peptide hydrolysis catalyzed by matrix metalloproteinase 2: a computational study.
quantum mechanics/classical mechanics
(3 times)
Chemistry
(2 times)
IMPase (1 time)
MD (1 time)
PYP (1 time)
2012 Insights into the role of magnesium triad in myo-inositol monophosphatase: metal mechanism, substrate binding, and lithium therapy.
quantum mechanics (QM) and MM
(2 times)
Biochemistry
(1 time)
MM (2 times)
QM (2 times)
FEP (1 time)
2008 Product specificity and mechanism of protein lysine methyltransferases: insights from the histone lysine methyltransferase SET8.
quantum mechanics combined with molecular mechanics
(2 times)
Molecular Biology
(1 time)
FMO (1 time)
2015 Photophysical deactivation pathways in adenine oligonucleotides.
QM and MM
(1 time)
Chemical Phenomena
(1 time)
LPMO (1 time)
MM (1 time)
QM (1 time)
2017 Multiscale Modelling of Lytic Polysaccharide Monooxygenases.
QM-molecular mechanics
(1 time)
Molecular Biology
(1 time)
ALS (1 time)
QM (1 time)
SOD1 (1 time)
2019 A benchmark for the size of the QM system required for accurate hybrid QM/MM calculations on the metal site of the protein copper, zinc superoxide dismutase.
10  quantum mechanical (QM) and molecular mechanical (MM) approach
(1 time)
Chemical Phenomena
(1 time)
MM (1 time)
QM (1 time)
2018 On the Difference Between Additive and Subtractive QM/MM Calculations.
11  quantum mechanical and AMBER molecular mechanical potential
(1 time)
Chemistry
(1 time)
MM (1 time)
QM (1 time)
2005 Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
12  quantum mechanical/mechanical molecular
(1 time)
Chemistry
(1 time)
VIEs (1 time)
2019 Ionization and Electron Attachment for Nucleobases in Water.
13  quantum mechanics interfaced with molecular mechanics
(1 time)
Chemistry
(1 time)
FMO (1 time)
SAR (1 time)
2012 GAMESS as a free quantum-mechanical platform for drug research.
14  quantum molecular/molecular mechanics
(1 time)
Biophysics
(1 time)
--- 2011 The mean reaction force: a method to study the influence of the environment on reaction mechanisms.
15  quantum Monte Carlo (QMC) in combination with static point charges
(1 time)
Chemistry
(1 time)
GFP (1 time)
QMC (1 time)
TDDFT (1 time)
2015 Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein.
16  quantum-mechanical (QM) and mixed quantum/classical
(1 time)
Chemistry
(1 time)
QM (1 time)
2014 Study of the redox properties of singlet and triplet Tris(2,2'-bipyridine)ruthenium(II) ([Ru(bpy)3]2+) in aqueous solution by full quantum and mixed quantum/classical molecular dynamics simulations.
17  quite important for the reaction mechanisms simulation
(1 time)
Chemistry
(1 time)
AChE (1 time)
DFPase (1 time)
OP (1 time)
2018 Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication.