相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Computational Studies, GERS, Photovoltaic Modelling and Molecular Docking Studies of Diethylstilbestrol and Its Methyl Ether
Jamelah S. Al-Otaibi et al.
POLYCYCLIC AROMATIC COMPOUNDS (2022)
Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx
Marco Dalla Tiezza et al.
CHEMPLUSCHEM (2021)
Structural and reactivity studies of pravadoline -An ionic liquid, with reference to its wavefunction-relative properties using DFT and MD simulation
Jamelah S. Al-Otaibi et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations
Y. Sheena Mary et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Theoretical investigation on the reactive and interaction properties of sorafenib - DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation
Y. Sheena Mary et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Modeling the DFT structural and reactivity studies of a pyrimidine-6-carboxylate derivative with reference to its wavefunction-dependent, MD simulations and evaluation for potential antimicrobial activity
M. Smitha et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Simultaneous Femtomolar Detection of Paracetamol, Diclofenac, and Orphenadrine Using a Carbon Nanotube/Zinc Oxide Nanoparticle-Based Electrochemical Sensor
Tayyaba Kokab et al.
ACS APPLIED NANO MATERIALS (2021)
A randomized single-dose, two-period crossover bioequivalence study of two fixed-dose Paracetamol/Orphenadrine combination preparations in healthy volunteers under fasted condition
Kit Yee Cheah et al.
BMC PHARMACOLOGY & TOXICOLOGY (2020)
Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate
T. Pooventhiran et al.
STRUCTURAL CHEMISTRY (2020)
A Fluorinated Analogue of Marine Bisindole Alkaloid 2,2-Bis(6-bromo-1H-indol-3-yl)ethanamine as Potential Anti-Biofilm Agent and Antibiotic Adjuvant Against Staphylococcus aureus
Raffaella Campana et al.
PHARMACEUTICALS (2020)
Interaction of N-succinyl diaminopimelate desuccinylase with orphenadrine and disulfiram
Manuel Terrazas-Lopez et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Electronic and nonlinear optical properties of 3-(((2-substituted-4-nitrophenyl)imino)methyl)phenol
Nathanael Damilare Ojo et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2020)
Histamine H1 receptor antagonists enhance the efficacy of antibacterials against Escherichia coli
G. G. Bruer et al.
BMC VETERINARY RESEARCH (2019)
Using the Green Solvent Dimethyl Sulfoxide To Replace Traditional Solvents Partly and Fabricating PVC/PVC-g-PEGMA Blended Ultrafiltration Membranes with High Permeability and Rejection
Wancen Xie et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2019)
Salting out potential of cholinium dihydrogen citrate in aqueous solution of Triton surfactants
Noel Escudero et al.
JOURNAL OF CHEMICAL THERMODYNAMICS (2018)
An Exploratory Study on the Antimicrobial Activity of Cetirizine Dihydrochloride
H. S. Maji et al.
INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES (2017)
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
Leif D. Jacobson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures
V. V. Aswathy et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole
Y. Sheena Mary et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking study
Adel S. El-Azab et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Newly synthesized dihydroquinazoline derivative from the aspect of combined spectroscopic and computational study
Adel S. El-Azab et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
FT-IR, FT-Raman and molecular docking study of ethyl 4-(2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)acetamido)benzoate
Adel S. El-Azab et al.
JOURNAL OF MOLECULAR STRUCTURE (2016)
Vibrational spectroscopic studies, NMR, HOMO-LUMO, NLO and NBO analysis of 1-(2-nitrobenzoyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole with use X-ray diffractions and DFT calculations
Sibel Demir et al.
JOURNAL OF MOLECULAR STRUCTURE (2016)
Molecular Docking and Structure-Based Drug Design Strategies
Leonardo G. Ferreira et al.
MOLECULES (2015)
Insights into the modulation of dopamine transporter function by amphetamine, orphenadrine, and cocaine binding
Mary Hongying Cheng et al.
FRONTIERS IN NEUROLOGY (2015)
Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods
S. Muthu et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-(3-chlorophenyl)prop-2-enoic anhydride based on density functional theory calculations
Y. Sheena Mary et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
Art D. Bochevarov et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)
Interference from ordinarily used solvents in the outcomes of Artemia salina lethality test
Sahgal Geethaa et al.
JOURNAL OF ADVANCED PHARMACEUTICAL TECHNOLOGY & RESEARCH (2013)
Differential Flap Dynamics in Wild-Type and a Drug Resistant Variant of HIV-1 Protease Revealed by Molecular Dynamics and NMR Relaxation
Yufeng Cai et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Parameterization of a B3LYP Specific Correction for Noncovalent Interactions and Basis Set Superposition Error on a Gigantic Data Set of CCSD(T) Quality Noncovalent Interaction Energies
Severin T. Schneebeli et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Development of a capillary electrophoresis method for the determination of orphenadrine citrate in tablets in the presence of paracetamol
Dana N. Haj-Ali et al.
SAUDI PHARMACEUTICAL JOURNAL (2011)
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field
Devleena Shivakumar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Synthesis and characterization of a biodegradable elastomer featuring a dual crosslinking mechanism
Richard T. Tran et al.
SOFT MATTER (2010)
The use of antipsychotic and anticholinergic antiparkinson drugs in Norway after the withdrawal of orphenadrine
Pal Gjerden et al.
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY (2009)
Involvement of voltage-gated sodium channels blockade in the analgesic effects of orphenadrine
Jean-Francois Desaphy et al.
PAIN (2009)
Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde
S. Gunasekaran et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2008)
Vibrational spectroscopy investigation using ab initio and density functional theory on flucytosine
S. Seshadri et al.
JOURNAL OF RAMAN SPECTROSCOPY (2007)
Molecular interaction of serotonin 5-HT2A receptor residues Phe339(6.51) and Phe340(6.52) with superpotent N-benzyl phenethylamine agonists
Michael R. Braden et al.
MOLECULAR PHARMACOLOGY (2006)
PatchDock and SymmDock: servers for rigid and symmetric docking
D Schneidman-Duhovny et al.
NUCLEIC ACIDS RESEARCH (2005)
Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase
P Burkhard et al.
NATURE STRUCTURAL BIOLOGY (2001)