Journal of Computational Chemistry & Molecular Modeling
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Journal of Computational Chemistry & Molecular Modeling

Journal of Computational Chemistry & Molecular Modeling (JCCMM)

ISSN: 2473-6260

Impact Factor: 0.827

Special Issue Topics

Proton Transfer Processes in Biological Reactions: A Computational Approach

Computational Chemistry in Homogeneous Catalysis

Application of Optimization Algorithms in Chemistry

A Quantum Chemistry Theory Approach to Catalytic Reactions on Active Sites

Artificial Intelligence in Chemistry

Challenges in Computational Enzymology

Polynuclear Coordination Compounds of Pharmaceutical Interest: Defining Strategies through Computational Chemistry Challenges in Computational Enzymology

Density-Functional Theory and Beyond: Novel Materials Discovery from Electronic-Structure Theory

Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems – Recent Developments and Advanced Applications

Discovery of Novel Molecules for Corrosion Protection Using Computational Chemistry

Journal Archive

Volume: 6 Issue: 1 Volume: 5 Issue: 3 Volume: 5 Issue: 2 Volume: 5 Issue: 1 Volume: 4 Issue: 4 Volume: 4 Issue: 3 Volume: 4 Issue: 2 Volume: 4 Issue: 1 Volume: 3 Issue: 2 Volume: 3 Issue: 1 Volume: 2 Issue: 3 Volume: 2 Issue: 2 Volume: 2 Issue: 1 Volume: 1 Issue: 2 Volume: 1 Issue: 1

Journal Recent Articles

Author: Kurt V. Mikkelsen
Graphyne: Optical Excitations and Charge Distributions
Author: Sopi Thomas AFFI
Modeling anticancer pharmacophore based on inhibition of HDAC7
Author: Jocelyne Bosson
Computer-Aided Virtual Design of 3-Dehydroquinic Acid Analogues Inhibitors of Dehydroquinase Type II of Mycobacterium tuberculosis with Favorable Pharmacokinetics Profil
Author: Meng Zhang
The characteristic of a novel metalloproteinase from Puccinia helianthi
Author: Melalie Keita
Molecular and Thermodynamic Modeling of the Protein-Ligand Interaction. Application to Computer-Assisted Design of Anti-Competitive Inhibitors of Human Histone Deacetylas
Author: Kre N’Guessan Raymond
Conformational analysis and molecular design of anthranilic acid derivatives as partial agonists of the Farnesoid X Receptor (FXR) with favorable predicted pharmacokineti
Author: Melalie Keita
In silico Design of Novel N-hydrosulfonylbenzamides inhibitors of dengue RNA-dependent RNA polymerase showing favorable predicted pharmacokinetic profiles
Author: MENYE Cyrille
Quantum and Structural Molecular Fragment models used to predict anti-inflammatory activity
Author: Dr. Rogers, D.W.
HELICAL STRUCTURE OF POLYUNSATURATED FATTY ACIDS: GAUSSIAN G4 THERMODYNAMIC FUNCTIONS
Author: MEGNASSAN Eugene
Structure-Based Design of Tetrahydroisoquinoline-Based Hydroxamic Acid Derivatives Inhibiting Human Histone Deacetylase 8
Author: Puis Tshimankinda Mpiana
Facing COVID-19 via anti-inflammatory mechanism of action: Molecular docking and Pharmacokinetic studies of six anti-inflammatory compounds derived from Passiflora ed
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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