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■検索結果 - 略語 : MM-PBSA

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検索語：MM-PBSA

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主な研究分野:

結果

略語: MM-PBSA

出現頻度: 371

対応する展開形の数: 7

No.

展開形

主な研究分野

共起略語

PubMed/MEDLINE情報 (発表年, 題目)

molecular mechanics Poisson-Boltzmann surface area

(362回)

Chemistry

化学

(117回)

MD(153回)

MM-GBSA(22回)

RMSD(19回)

20012.1 and 1.8 A average C(alpha) RMSD structure predictions on two small proteins, HP-36 and s15.

mechanics combined with the Poisson-Boltzman surface area

(4回)

Molecular Biology

分子生物学

(3回)

MD(2回)

CRC(1回)

GC4(1回)

2010Combined molecular dynamics and continuum solvent studies of the pre-pore Cry4Aa trimer suggest its stability in solution and how it may form pore.

Mechanic/Poisson-Boltzmann Surface Area

(1回)

Molecular Biology

分子生物学

(1回)

AFP(1回)

CASP3(1回)

HCC(1回)

2024Targeting AFP-RARbeta complex formation: a potential strategy for treating AFP-positive hepatocellular carcinoma.

MD simulation and Poisson-Boltzmann surface area

(1回)

Biomedical Engineering

生物医工学

(1回)

GQD(1回)

MD(1回)

PPI(1回)

2024Metabolomics combined with network pharmacology revealed a paradigm for determining the mechanism underlying the metabolic action of Gegen Qinlian Decoction amelioration of ulcerative colitis in mice.

molecular dynamics simulation, post-MD-binding-free energy

(1回)

Biotechnology

生物工学, 生命工学

(1回)

PCA(1回)

VL(1回)

2022Exploring actinomycetes natural products to identify potential multi-target inhibitors against Leishmania donovani.

molecular dynamics simulation, and Poisson-Boltzmann surface area

(1回)

Poisoning

(1回)

RMSD(1回)

RMSF(1回)

2024Hexaconazole exposure may lead to Parkinson via disrupting glucocerebrosidase and parkin: molecular interaction, dynamics, MMPBSA and DFT based in-silico predictive toxicology.

molecular mechanics generalized Born Poisson-Boltzmann surface area

(1回)

Biology

生物学

(1回)

AD(1回)

ADMET(1回)

DCCM(1回)

20244D-QSAR, ADMET properties, and molecular dynamics simulations for designing N-substituted urea/thioureas as human glutaminyl cyclase inhibitors.