Journal of Computational Chemistry & Molecular Modeling

Author: THULASIDHASAN J

THEORETICAL INVESTIGATION OF β-CYCLODEXTRIN WITH PYRAZOLINE DERIVATIVE

Author: Tunga Kuhana Arsene

Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease

Author: Sarkar M A Kawsar

Thermochemical, DFT, Molecular Docking and Pharmacokinetic Studies of Methyl β-D-galactopyranoside Esters

Author: Arpita Yadav

Curcumin and pipernonaline to curb diabetes the natural way: A molecular modeling, docking and dynamics simulation study

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Journal of Computational Chemistry & Molecular Modeling

ISSN: 2473-6260

Impact Factor: 0.827

Triplet diradicals derived from quinone-nitroxides: a quantum-chemical study

Molecular Docking and Binding Free Energy Analysis of Rutin and Apigetrin as Galectin-1 Inhibitors

Computational Exploration of New Non-Steroidal Chemo-types as Human Aromatase Inhibitors

Combining of DFT and QSAR Results to Predict the Antibacterial Activity of a Series of Azetidinones derived from Dapsone as Inhibitors of Bacillus Subtilis and Pseudomonas Aeruginosa

Molecular docking of 11β-HSD1 with (1,2,4-triazole derivatives) inhibitors in a solvated medium

Journal Recent Articles

Graphyne: Optical Excitations and Charge Distributions

Modeling anticancer pharmacophore based on inhibition of HDAC7

Computer-Aided Virtual Design of 3-Dehydroquinic Acid Analogues Inhibitors of Dehydroquinase Type II of Mycobacterium tuberculosis with Favorable Pharmacokinetics Proﬁl

The characteristic of a novel metalloproteinase from Puccinia helianthi

Molecular and Thermodynamic Modeling of the Protein-Ligand Interaction. Application to Computer-Assisted Design of Anti-Competitive Inhibitors of Human Histone Deacetylas

Conformational analysis and molecular design of anthranilic acid derivatives as partial agonists of the Farnesoid X Receptor (FXR) with favorable predicted pharmacokineti

In silico Design of Novel N-hydrosulfonylbenzamides inhibitors of dengue RNA-dependent RNA polymerase showing favorable predicted pharmacokinetic profiles

Quantum and Structural Molecular Fragment models used to predict anti-inflammatory activity

HELICAL STRUCTURE OF POLYUNSATURATED FATTY ACIDS: GAUSSIAN G4 THERMODYNAMIC FUNCTIONS

Structure-Based Design of Tetrahydroisoquinoline-Based Hydroxamic Acid Derivatives Inhibiting Human Histone Deacetylase 8

Facing COVID-19 via anti-inflammatory mechanism of action: Molecular docking and Pharmacokinetic studies of six anti-inflammatory compounds derived from Passiflora ed

THEORETICAL INVESTIGATION OF β-CYCLODEXTRIN WITH PYRAZOLINE DERIVATIVE

Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease

Thermochemical, DFT, Molecular Docking and Pharmacokinetic Studies of Methyl β-D-galactopyranoside Esters

Curcumin and pipernonaline to curb diabetes the natural way: A molecular modeling, docking and dynamics simulation study

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Journal of Computational Chemistry & Molecular Modeling

ISSN: 2473-6260

Journal Recent Articles

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