Source

Journal of computational methods in molecular design

ISSN: 2231-3176

Source type: journal

Publisher:

Fully OA: No

DOAJ: No

OpenAlex ID: S2764541403

Theoretical approach to the corrosion inhibition efficiency of some pyrimidine derivatives using DFT method

2012 · P. Udhayakala, T. V. Rajendiran, et al. · Journal of computational methods in molecular design · 31

Identification of Potential Inhibitors against Acetylcholinesterase Associated With Alzheimer's Diseases: A Molecular Docking Approach

2011 · Jagmohan Sharma, K. Ramanathan, et al. · Journal of computational methods in molecular design · 23

Synthesis, docking study and anticancer activity of coumarin substituted derivatives of benzothiazole

2012 · Suvarna G. Kini, Shivani Choudhary, et al. · Journal of computational methods in molecular design · 21

In Silico docking studies of lipoxygenase inhibitory activity of commercially available flavonoids

2011 · Arumugam Madeswaran, Muthuswamy Umamaheswari, et al. · Journal of computational methods in molecular design · 20

Computational simulation and corrosion inhibitive potential of alloxazine for mild steel in 1M HCl

2011 · N.O. Obi-Egbedi, K.E. Essiena, et al. · Journal of computational methods in molecular design · 19

POM as Efficient Tools to Predict and Improve Both Antibacterial and Antifungal Activity of Aryl Aldazines

2011 · Jihane Fathi, Vijay H. Masand, et al. · Journal of computational methods in molecular design · 14

Molecular Docking studies on phytocompounds from the methanol leaf extract of Carica papaya against Envelope protein of dengue virus (type-2)

2015 · A K Sajin, Rahna K. Rathnan, et al. · Journal of computational methods in molecular design · 9

Presuming the Probable Anti-inflammatory Mechanism of Ursolic Acid: a plant derived pentacyclic triterpenoid, using molecular docking

2011 · Anil M. Manikrao, Pravin N. Khatale, et al. · Journal of computational methods in molecular design · 9

Investigation of 5,6-dihydro-2-pyrones derivatives as potent anti-HIV agents inhibitors

2015 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of computational methods in molecular design · 7

In silico docking evaluation of α-Amylase inhibitory activity of Butein and Tricetin

2014 · Arumugam Madeswaran, Kuppusamy Asokkumar, et al. · Journal of computational methods in molecular design · 7

Quantitative structure and activity relationship modeling study of anti-HIV-1 RT inhibitors: Genetic function approximation and density function theory methods

2015 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of computational methods in molecular design · 6

2D QSAR studies of some novel quinazolinone derivatives as antitubercular agents

2011 · Rajasekaran Subramaniam, Gopalkrishna Rao, et al. · Journal of computational methods in molecular design · 6

Quantum modeling of the toxicity of selected Anti-Candida albicans Schiff bases and their Nickel (II) complexes

2015 · John Philip Ameji, Adamu Uzairu, et al. · Journal of computational methods in molecular design · 5

Structure activity and prediction of biological activities of compound (2-methyl-6-phenylethynylpyridine) derivatives relationships rely on electronic and topological descriptors.

2014 · Rachid Hmamouchi, Majdouline Larif, et al. · Journal of computational methods in molecular design · 5

Exploring interactions of 2-Amino-6-arylsulfonylbenzonitrile derivatives as nonnucleoside reverse transcriptase inhibitors of HIV-1 using docking studies

2011 · Vijay H. Mas, Komalsingh N. Patil, et al. · Journal of computational methods in molecular design · 5

Thiamine Hydrochloride as a Potential Inhibitor for Aluminium Corrosion in 1.0 M HCl: Mass Loss and DFT Studies

2018 · Mamadou Yeo, Paulin Marius Niamien, et al. · Journal of computational methods in molecular design · 4

Targeting BACE 1(Beta secretase) through Polyphenolic compounds -A computational insilico approach with emphasis on binding site analysis

2014 · Karthik Dhananjayan, Sumathy Arunachalam, et al. · Journal of computational methods in molecular design · 4

Quantum-chemical modeling of the Hepatitis C Virus replicon inhibitory potency and cytotoxicity of some pyrido[2,3-d]pyrimidine analogues

2013 · Ignacio Reyes-DÃaz, Juan S. GÃ mez-Jeria · Journal of computational methods in molecular design · 4

In silico studies of NF-κB protein as anti-cancer and anti-inflammatory target

2013 · S. Ranganatha, Shruthi Sd, et al. · Journal of computational methods in molecular design · 4

Regulation of Metabolic Syndromes by means of controlling diseased Ache and Bche with Multitarget Inhibitors through in silico techniques

2012 · Dsvgk Kaladhar, N Anusha, et al. · Journal of computational methods in molecular design · 4

PM3 Semi Empirical Quantum Mechanical Calculations on a Novel Dichlorobis (N-{4-[(2-pyrimidinyl-kN-amino)sulfonyl}acetamide]copper(II), Containing a Metabolite N-acetylsulfadiazine

2012 · I.A. Adejoro, Oluwatoba Emmanuel Oyeneyin, et al. · Journal of computational methods in molecular design · 4

Docking Studies of few C-3 Substituted Azapteridines as Hepatitis C Virus RNA-Dependent RNA Polymerase inhibitors

2011 · Anil M. Manikrao, Niranjan S. Mahajan, et al. · Journal of computational methods in molecular design · 4

Computational Chemistry Calculation on Stavudine (D4T) and Its Derivatives Activity to predict a new compound with best drug potency

2016 · Falah Shareef Abed Suhail · Journal of computational methods in molecular design · 3

Molecular docking studies of B-RAF expression inhibitors identified from Strychnos potatorum (Thethankottai)

2015 · R. Sasikala, P G Stela, et al. · Journal of computational methods in molecular design · 3

Insilico prediction of octanol-air partition coefficient of some persistent organic pollutants through QSPR modelling

2015 · John Philip Ameji, Adamu Uzairu, et al. · Journal of computational methods in molecular design · 3

Works count: 243

Citation count: 336

H-index: 8

I10-index: 6

2yr mean citedness: