Literature DB >> 12444749

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Robert E Buntrock1.   

Abstract

Year:  2002        PMID： 12444749     DOI： 10.1021/ci025575p

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


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  13 in total

1.  Exploring the molecular basis for selective binding of Mycobacterium tuberculosis Asp kinase toward its natural substrates and feedback inhibitors: a docking and molecular dynamics study.

Authors:  M Chaitanya; B Babajan; C M Anuradha; M Naveen; C Rajasekhar; P Madhusudana; Chitta Suresh Kumar
Journal:  J Mol Model       Date:  2010-02-07       Impact factor: 1.810

2.  Impact of various heterocyclic π-linkers and their substitution position on the opto-electronic attributes of the A-π-D-π-A type IECIO-4F molecule: a comparative analysis.

Authors:  Sahar Javaid Akram; N M A Hadia; Javed Iqbal; Rana Farhat Mehmood; Saleem Iqbal; Ahmed M Shawky; Areeba Asif; H H Somaily; Muhammad Raheel; Rasheed Ahmad Khera
Journal:  RSC Adv       Date:  2022-07-20       Impact factor: 4.036

3.  Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitors.

Authors:  Preyesh Stephen; Ramachandran Vijayan; Audesh Bhat; N Subbarao; R N K Bamezai
Journal:  J Comput Aided Mol Des       Date:  2007-08-21       Impact factor: 3.686

4.  Probing ligand binding modes of Mycobacterium tuberculosis MurC ligase by molecular modeling, dynamics simulation and docking.

Authors:  C M Anuradha; Chaitanya Mulakayala; Banaganapalli Babajan; M Naveen; Chikati Rajasekhar; Chitta Suresh Kumar
Journal:  J Mol Model       Date:  2009-05-30       Impact factor: 1.810

5.  Discovery of potential ALK inhibitors by virtual screening approach.

Authors:  Anish Kumar; V Shanthi; K Ramanathan
Journal:  3 Biotech       Date:  2016-01-09       Impact factor: 2.406

6.  Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking.

Authors:  N Harathi; Madhusudana Pulaganti; C M Anuradha; Suresh Kumar Chitta
Journal:  Adv Bioinformatics       Date:  2016-02-14

7.  Anti-Toxoplasma gondii activity of 5-oxo-hexahydroquinoline derivatives: synthesis, in vitro and in vivo evaluations, and molecular docking analysis.

Authors:  Mohammadsaeid Zahedi; Qasem Asgari; Fatemeh Badakhshan; Amirhossein Sakhteman; Sara Ranjbar; Mehdi Khoshneviszadeh
Journal:  Res Pharm Sci       Date:  2020-08-28

8.  Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation.

Authors:  Bhaskarjyoti Gogoi; Purvita Chowdhury; Nabajyoti Goswami; Neelutpal Gogoi; Tufan Naiya; Pankaj Chetia; Saurov Mahanta; Dipak Chetia; Bhaben Tanti; Probodh Borah; Pratap Jyoti Handique
Journal:  Mol Divers       Date:  2021-04-15       Impact factor: 3.364

9.  Virtual Screening of compounds from Tabernaemontana divaricata for potential anti-bacterial activity.

Authors:  Rashmi Rekha Gogoi; Dhrubajyoti Gogoi; Rajib Lochan Bezbaruah
Journal:  Bioinformation       Date:  2014-03-19

10.  Sequence-Based Prediction of RNA-Binding Proteins Using Random Forest with Minimum Redundancy Maximum Relevance Feature Selection.

Authors:  Xin Ma; Jing Guo; Xiao Sun
Journal:  Biomed Res Int       Date:  2015-10-12       Impact factor: 3.411
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