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Journal of Molecular Graphics & Modelling|December 28, 2010
Analysis of the stabilities of hexameric amyloid-β(1-42) models using discrete molecular dynamics simulationsSijung Yun, Sajung Yun, H Robert GuyJournal of Molecular Graphics & Modelling|January 11, 2011
Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation: protein-ligand interactions in the light of the alanine scanning and free energy decomposition methodsLiane Saíz-Urra, Miguel Angel Cabrera, Matheus FroeyenJournal of Molecular Graphics & Modelling|December 18, 2010
Differences in active-site microarchitecture explain the dissimilar behaviors of PBP5 and 6 in Escherichia coliChiranjit Chowdhury, Anindya S GhoshJournal of Molecular Graphics & Modelling|December 21, 2010
Studying the catechol binding cavity in comparative models of human dopamine D2 receptorAmirhossein Sakhteman, Maija Lahtela-Kakkonen, Antti PosoJournal of Molecular Graphics & Modelling|February 22, 2011
QSAR study of natural estrogen-like isoflavonoids and diphenolics from Thai medicinal plantsWanchai De-Eknamkul, Kaoru Umehara, Orawan Monthakantirat, et al.Journal of Molecular Graphics & Modelling|March 25, 2021
In silico approach for Post-SELEX DNA aptamers: A mini-reviewNor Azlina Ahmad, Razauden Mohamed Zulkifli, Huszalina Hussin, et al.Journal of Molecular Graphics & Modelling|July 28, 2019
Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysisKonda Reddy Karnati, Yixuan WangJournal of Molecular Graphics & Modelling|July 29, 2019
Theoretical analyses on enantiospecificity of L-2-haloacid dehalogenase (DehL) from Rhizobium sp. RC1 towards 2-chloropropionic acidAliyu Adamu, Roswanira Abdul Wahab, Firdausi Aliyu, et al.Journal of Molecular Graphics & Modelling|October 27, 2018
In silico identification of inhibitors targeting N-Terminal domain of human Replication Protein ASüleyman Selim Çınaroğlu, Emel TimuçinJournal of Molecular Graphics & Modelling|July 15, 2019
In silico analysis of bacteriophage tail tubular proteins suggests a putative sugar binding site and a catalytic mechanismWieslaw Swietnicki, Ewa BrzozowskaPageof 401