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Biochemical and Biophysical Research Communications|May 29, 2016
Molecular dynamics simulation and free energy landscape methods in probing L215H, L217R and L225M βI-tubulin mutations causing paclitaxel resistance in cancer cellsShubhandra Tripathi, Gaurava Srivastava, Ashok SharmaJournal of Chemical Information and Modeling|August 4, 2023
Temperature Accelerated Sliced Sampling to Probe Ligand Dissociation from ProteinShubhandra Tripathi, Nisanth N NairProtein Science : a Publication of the Protein Society|July 5, 2023
Coupling of conformational dynamics and inhibitor binding in the phosphodiesterase-5 familyShubhandra Tripathi, Rick H Cote, Harish VashisthTuberculosis (Edinburgh, Scotland)|June 15, 2017
Molecular investigation of active binding site of isoniazid (INH) and insight into resistance mechanism of S315T-MtKatG in Mycobacterium tuberculosisGaurava Srivastava, Shubhandra Tripathi, Akhil Kumar, et al.Journal of Biomolecular Structure & Dynamics|April 7, 2018
Cadmium-induced conformational changes in type 2 metallothionein of medicinal plant Coptis japonica: insights from molecular dynamics studies of apo, partially and fully metalated formsGarima Singh, Shubhandra Tripathi, Karuna Shanker, et al.International Journal of Biological Macromolecules|July 9, 2018
Molecular insight into multiple RpoB clinical mutants of Mycobacterium tuberculosis: An attempt to probe structural variations in rifampicin binding site underlying drug resistanceGaurava Srivastava, Shubhandra Tripathi, Akhil Kumar, et al.Journal of Biomolecular Structure & Dynamics|February 25, 2015
Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysisAkhil Kumar, Sudeep Roy, Shubhandra Tripathi, et al.Journal of Biomolecular Structure & Dynamics|July 28, 2015
Structural investigations into the binding mode of novel neolignans Cmp10 and Cmp19 microtubule stabilizers by in silico molecular docking, molecular dynamics, and binding free energy calculationsShubhandra Tripathi, Akhil Kumar, B Sathish Kumar, et al.Journal of Biomolecular Structure & Dynamics|July 26, 2015
Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4' benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics simulationsAkhil Kumar, Swati Srivastava, Shubhandra Tripathi, et al.Journal of Computer-Aided Molecular Design|March 9, 2018
Insight into microtubule destabilization mechanism of 3,4,5-trimethoxyphenyl indanone derivatives using molecular dynamics simulation and conformational modes analysisShubhandra Tripathi, Gaurava Srivastava, Aastha Singh, et al.Pageof 2