Using quantum mechanical approaches to study biological systems
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Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical MethodsToward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin.Perspective: Quantum mechanical methods in biochemistry and biophysics.LiCl solvation in N-methyl-acetamide (NMA) as a model for understanding Li(+) binding to an amide plane.Possible binding sites and interactions of propanidid and AZD3043 within the γ-aminobutyric acid type A receptor (GABAAR).Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.Analysis of proton wires in the enzyme active site suggests a mechanism of c-di-GMP hydrolysis by the EAL domain phosphodiesterases.Mineralization of high concentrations of the endocrine disruptor dibutyl phthalate by Fusarium culmorum.Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes.Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MMApplication of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms
P2860
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P2860
Using quantum mechanical approaches to study biological systems
description
2014 nî lūn-bûn
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2014 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի հունիսին հրատարակված գիտական հոդված
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2014年の論文
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2014年学术文章
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2014年学术文章
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2014年学术文章
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2014年学术文章
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2014年学术文章
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2014年學術文章
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name
Using quantum mechanical approaches to study biological systems
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Using quantum mechanical approaches to study biological systems
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type
label
Using quantum mechanical approaches to study biological systems
@ast
Using quantum mechanical approaches to study biological systems
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prefLabel
Using quantum mechanical approaches to study biological systems
@ast
Using quantum mechanical approaches to study biological systems
@en
P2860
P356
P1476
Using quantum mechanical approaches to study biological systems
@en
P2093
Kenneth M Merz
P2860
P304
P356
10.1021/AR5001023
P407
P577
2014-06-06T00:00:00Z