Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

Computational Analysis of Molnupiravir

(2022) Artem V. Sharov et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Synthesis, dielectric properties, molecular docking and ADME studies of pyrrole-3-ones

(2021) İrfan Çapan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies

(2021) Dhaybia Douche et al.   JOURNAL OF MOLECULAR STRUCTURE

A chiral (1R,2R)-N,N′-bis-(salicylidene)-1,2-diphenyl-1,2-ethanediamine Schiff base dye: synthesis, crystal structure, Hirshfeld surface analysis, computational study, photophysical properties and in silico antifungal activity

(2021) Alexey A. Shiryaev et al.   Journal of the Iranian Chemical Society

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

(2021) Peter R. Spackman et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study

(2021) Maria G. Babashkina et al.   Journal of the Iranian Chemical Society

Evaluation of the antitumor activity of a series of the pincer-type metallocomplexes produced from isonicotinohydrazide derivative

(2021) Burcu Saygıdeğer Demir et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Computational analysis of aspirin

(2021) Larisa E. Alkhimova et al.   JOURNAL OF MOLECULAR STRUCTURE

Azithromycin and ambroxol as potential pharmacotherapy for SARS-CoV-2

(2020) Myasar Alkotaji   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N -(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide

(2018) Can Alaşalvar et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores

(2018) Yusuf Sert et al.   JOURNAL OF MOLECULAR STRUCTURE

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis

(2014) Christian Jelsch et al.   IUCrJ

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

(2013) Michał H. Jamróz   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM