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  1. Original research

    In silico proposition to predict cluster of B- and T-cell epitopes for the usefulness of vaccine design from invasive, virulent and membrane associated proteins of C. jejuni

    Campylobacter jejuni is the one of the leading causes of bacterial diarrheal illness worldwide. This study aims to design specific epitopes for the utility of designing peptide vaccine...

    Tahirah Yasmin, Salma Akter, Mouly Debnath, Akio Ebihara, Tsutomu Nakagawa and A. H. M. Nurun Nabi

    In Silico Pharmacology 2016 4:5

    Published on: 4 July 2016

  2. Review

    A momentary biomarker for depressive mood

    Many biomarkers from genetic, neuroimaging, and biological/biochemical measures have been recently developed in order to make a shift toward the objective evaluation of psychiatric disorders. However, they hav...

    Jinhyuk Kim, Toru Nakamura and Yoshiharu Yamamoto

    In Silico Pharmacology 2016 4:4

    Published on: 16 March 2016

  3. Original research

    Functioning of drug-metabolizing microsomal cytochrome P450s: In silico probing of proteins suggests that the distal heme ‘active site’ pocket plays a relatively ‘passive role’ in some enzyme-substrate interactions

    The currently held mechanistic understanding of microsomal cytochrome P450s (CYPs) seeks that diverse drug molecules bind within the deep-seated distal heme pocket and subsequently react at the heme centre. To...

    Avanthika Venkatachalam, Abhinav Parashar and Kelath Murali Manoj

    In Silico Pharmacology 2016 4:2

    Published on: 19 February 2016

  4. Original research

    Determining optimal diagnostic criteria through chronicity and comorbidity

    Contemporary approaches to clinical diagnosis have not adequately exploited state-of-the-art empirical techniques in deriving diagnostic criterion sets that are statistically optimal based on 1) relevant exter...

    Douglas Steinley, Sean P. Lane and Kenneth J. Sher

    In Silico Pharmacology 2016 4:1

    Published on: 1 February 2016

  5. Original research

    Molecular docking studies on InhA, MabA and PanK enzymes from Mycobacterium tuberculosis of ellagic acid derivatives from Ludwigia adscendens and Trewia nudiflora

    There is an urgent need to discover and develop new drugs to combat Mycobacterium tuberculosis, the causative agent of tuberculosis (TB) in humans. In recent years, there has been a renewed interest in the discov...

    Jamil A. Shilpi, Mohammad Tuhin Ali, Sanjib Saha, Shihab Hasan, Alexander I. Gray and Véronique Seidel

    In Silico Pharmacology 2015 3:10

    Published on: 8 December 2015

  6. original research

    Highly conserved regions in Ebola virus RNA dependent RNA polymerase may be act as a universal novel peptide vaccine target: a computational approach

    Ebola virus (EBOV) is such kind of virus which is responsible for 23,825 cases and 9675 deaths worldwide only in 2014 and with an average diseases fatality rate between 25 % and 90 %. Although, medical technol...

    Arafat Rahman Oany, Tahmina Sharmin, Afrin Sultana Chowdhury, Tahmina Pervin Jyoti and Md. Anayet Hasan

    In Silico Pharmacology 2015 3:7

    Published on: 8 August 2015

  7. Original research

    Use of in-silico assays to characterize the ADMET profile and identify potential therapeutic targets of fusarochromanone, a novel anti-cancer agent

    For 30 years nature has provided a plethora of natural products with potential meaningful anti-cancer activity. Fusarochromanone (FC101a) is a small molecule fungal metabolite exhibiting potent in-vitro growth in...

    Madison Wynne El-Saadi, Tara Williams-Hart, Brian A Salvatore and Elahe Mahdavian

    In Silico Pharmacology 2015 3:6

    Published on: 4 June 2015

  8. Review

    High throughput molecular dynamics for drug discovery

    Molecular dynamics simulations hold the promise to be an important tool for biological research and drug discovery. Historically, however, there were several obstacles for it to become a practical research too...

    Nathaniel Stanley and Gianni De Fabritiis

    In Silico Pharmacology 2015 3:3

    Published on: 13 February 2015

  9. Original research

    Characterizing plasma albumin concentration changes in TB/HIV patients on anti retroviral and anti –tuberculosis therapy

    Plasma albumin, a biomarker for hepatic function, is reported to correspondingly decrease in concentration as disease severity increases in chronic infections including HIV and TB. Our objective was to develop...

    Kuteesa R Bisaso, Joel S Owen, Francis W Ojara, Proscovia M Namuwenge, Apollo Mugisha, Lawrence Mbuagbaw, Livingstone S Luboobi and Jackson K Mukonzo

    In Silico Pharmacology 2014 2:3

    Published on: 16 September 2014

    The Erratum to this article has been published in In Silico Pharmacology 2015 3:2

  10. Short report

    Implementing the “Best Template Searching” tool into Adenosiland platform

    Adenosine receptors (ARs) belong to the G protein-coupled receptors (GCPRs) family. The recent release of X-ray structures of the human A2A AR (h A2A AR ) in complex with agonists and antagonists has increased th...

    Matteo Floris, Davide Sabbadin, Antonella Ciancetta, Ricardo Medda, Alberto Cuzzolin and Stefano Moro

    In Silico Pharmacology 2013 1:25

    Published on: 20 December 2013

  11. Original research

    Simulation and comparative analysis of binding modes of nucleoside and non-nucleoside agonists at the A2B adenosine receptor

    A2B receptor agonists are studied as possible therapeutic tools for a variety of pathological conditions. Unfortunately, medicinal chemistry efforts have led to the development of a limited number of potent agoni...

    Diego Dal Ben, Michela Buccioni, Catia Lambertucci, Ajiroghene Thomas and Rosaria Volpini

    In Silico Pharmacology 2013 1:24

    Published on: 20 December 2013

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