Search Results

Functional and structural insights revealed by molecular dynamics simulations of an essential RNA editing ligase in Trypanosoma brucei.

by Rommie E Amaro, Robert V Swift, J Andrew McCammon
Published in PLoS Neglected Tropical Diseases (2007)

Molecular Dynamics Simulation of Ligands from Anredera cordifolia (Binahong) to the Main Protease (Mpro) of SARS-CoV-2

by Jaka Fajar Fatriansyah, Ara Gamaliel Boanerges, Syarafina Ramadhanisa Kurnianto, Agrin Febrian Pradana, null Fadilah, Siti Norasmah Surip
Published in Journal of Tropical Medicine (2022)

Molecular Docking and Molecular Dynamics Simulation of Fisetin, Galangin, Hesperetin, Hesperidin, Myricetin, and Naringenin against Polymerase of Dengue Virus

by Jaka Fajar Fatriansyah, Raihan Kenji Rizqillah, Muhammad Yusup Yandi
Published in Journal of Tropical Medicine (2022)

Structure-based virtual screening and molecular dynamics of potential inhibitors targeting sodium...

by Won Gi Yoo, Fuhong Dai, Jhang Ho Pak, Sung-Jong Hong, Jin-Ho Song
Published in PLOS Neglected Tropical Diseases (2022)

In Silico Identification of New Anti-SARS-CoV-2 Main Protease (Mpro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening

by Harrison Onyango, Patrick Odhiambo, David Angwenyi, Patrick Okoth
Published in Journal of Tropical Medicine (2022)

Characterisation of plasmodial transketolases and identification of potential inhibitors: an in silico study

by Rita Afriyie Boateng, Özlem Tastan Bishop, Thommas Mutemi Musyoka
Published in Malaria Journal (2020)

Luteolin attenuates diabetic nephropathy via inhibition of metalloenzymes in rats

by R. B. Daude, Rajendra Bhadane, J. S. Shah
Published in Asian Pacific Journal of Tropical Biomedicine (2023)

Computational identification of uncharacterized cruzain binding sites.

by Jacob D Durrant, Henrik Keränen, Benjamin A Wilson, J Andrew McCammon
Published in PLoS Neglected Tropical Diseases (2010)

Computational Perspectives into Plasmepsins Structure—Function Relationship: Implications to Inhibitors Design

by Alejandro Gil L., Pedro A. Valiente, Pedro G. Pascutti, Tirso Pons
Published in Journal of Tropical Medicine (2011)

The effect of amantadine on an ion channel protein from Chikungunya virus.

by Debajit Dey, Shumaila Iqbal Siddiqui, Prabhudutta Mamidi, Sukanya Ghosh, Chandra Shekhar Kumar, Soma Chattopadhyay, Subhendu Ghosh, Manidipa Banerjee
Published in PLOS Neglected Tropical Diseases (2019)

Predicting and designing therapeutics against the Nipah virus.

by Neeladri Sen, Tejashree Rajaram Kanitkar, Ankit Animesh Roy, Neelesh Soni, Kaustubh Amritkar, Shreyas Supekar, Sanjana Nair, Gulzar Singh, M S Madhusudhan
Published in PLOS Neglected Tropical Diseases (2019)

Targeting Shikimate Kinase Pathway of Acinetobacter baumannii: A Structure-Based Computational Approach to Identify Antibacterial Compounds

by Aparna Shil, Most. Afrin Akter, Arafin Sultana, Sajal Kumar Halder, Mahbubul Kabir Himel
Published in Journal of Tropical Medicine (2023)

Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate.

by Keith Lange, Kathleen M Frey, Tyler Eck, Cheryl A Janson, Ueli Gubler, Nina M Goodey
Published in PLOS Neglected Tropical Diseases (2023)

Immunoinformatics approach for multi-epitope vaccine design against structural proteins and ORF1a polyprotein of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)

by Khalid Mohamed Adam
Published in Tropical Diseases, Travel Medicine and Vaccines (2021)

Comparative transcriptional and translational analysis of leptospiral outer membrane protein expression in response to temperature.

by Miranda Lo, Stuart J Cordwell, Dieter M Bulach, Ben Adler
Published in PLoS Neglected Tropical Diseases (2009)

WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

by Kenyon Colin, Maass Astrid, Kim Doman, Isea Raul, Degliesposti Gianluca, Dacosta Ana, Botha Marli, Salzemann Jean, Kasam Vinod, Rastelli Giulio, Hofmann-Apitius Martin, Breton Vincent
Published in Malaria Journal (2009)

Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches.

by Lilian Hernández Alvarez, Dany Naranjo Feliciano, Jorge Enrique Hernández González, R O Soares, Diego Enry Barreto Gomes, Pedro Geraldo Pascutti
Published in PLOS Neglected Tropical Diseases (2015)

Computational analysis of binding between malarial dihydrofolate reductases and anti-folates

by White Nicholas J, Day Nicholas PJ, Songtawee Napat, Theppabutr Sasikrit, Choowongkomon Kiattawee, Woodrow Charles J, Imwong Mallika
Published in Malaria Journal (2010)

Identifying potential natural inhibitors of Brucella melitensis Methionyl-tRNA synthetase through an in-silico approach.

by Adekunle Babajide Rowaiye, Akwoba Joseph Ogugua, Gordon Ibeanu, Doofan Bur, Mercy Titilayo Asala, Osaretin Benjamin Ogbeide, Emmanuella Oshiorenimeh Abraham, Hamzah Bundu Usman
Published in PLOS Neglected Tropical Diseases (2022)

Cholesterol Corrects Altered Conformation of MHC-II Protein in Leishmania donovani Infected Macrophages: Implication in Therapy.

by Koushik Roy, Sapan Mandloi, Saikat Chakrabarti, Syamal Roy
Published in PLOS Neglected Tropical Diseases (2016)