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PubPharm (139)
1
Crystal Polymorph Search in the NPT Ensemble via a Deposition/Sublimation Alchemical Path
enthalten in:
Crystal growth & design
| 2024
von
Nessler, A.
|
Okada, O.
|
Kinoshita, Y.
| +5
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2
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations
enthalten in:
The journal of physical chemistry. B
| 2024
von
Handa, Y.
|
Okuwaki, K.
|
Kawashima, Y.
| +8
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3
The Development and Characterization of Novel Ionic Liquids Based on Mono- and Dicarboxylates with Meglumine for Drug Solubilizers and Skin Permeation Enhancers
enthalten in:
Pharmaceutics
| 2024
von
Furuishi, T.
|
Taguchi, S.
|
Wang, S.
| +2
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4
FMOe: Preprocessing and visualizing package of the fragment molecular orbital method for Molecular Operating Environment and its applications in covalent ligand and metalloprotein analyses
enthalten in:
chemRxiv.org
| 2024
von
Moriwaki, H.
|
Kawashima, Y.
|
Watanabe, C.
| +4
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5
Probing RNA-Small Molecule Interactions Using Biophysical and Computational Approaches
enthalten in:
ACS chemical biology
| 2023
von
Shino, A.
|
Otsu, M.
|
Imai, K.
| +2
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6
Crystal Polymorph Search in the NPT Ensemble via a Deposition/Sublimation Alchemical Path
enthalten in:
chemRxiv.org
| 2023
von
Nessler, A.
|
Okada, O.
|
Kinoshita, Y.
| +5
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7
Pateamine A mediates RNA sequence-selective translation repression by anchoring eIF4A and DDX3 to GNG motifs
enthalten in:
bioRxiv.org
| 2023
von
Saito, H.
|
Handa, Y.
|
Chen, M.
| +9
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8
Prediction of Binding Pose and Affinity of SARS-CoV-2 Main Protease and Repositioned Drugs by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations
enthalten in:
chemRxiv.org
| 2023
von
Handa, Y.
|
Okuwaki, K.
|
Kawashima, Y.
| +8
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9
Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O-Methyltransferase : A Crystallographic Study and Fragment Molecular Orbital Analyses
enthalten in:
Journal of chemical information and modeling
| 2023
von
Takebe, K.
|
Suzuki, M.
|
Kuwada-Kusunose, T.
| +5
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10
Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit
enthalten in:
The journal of physical chemistry letters
| 2023
von
Watanabe, C.
|
Tanaka, S.
|
Okiyama, Y.
| +6
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Chemical physics letters
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The journal of physical chemistry. B
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Hemagglutinin Glycoproteins, Influenza Virus
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4
Fragment molecular orbital method
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crystal structure
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solubility
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