Molecular dynamics simulation and free energy landscape methods in probing L215H, L217R and L225M βI-tubulin mutations causing paclitaxel resistance in cancer cells S Tripathi, G Srivastava, A Sharma Biochemical and biophysical research communications 476 (4), 273-279, 2016 | 53 | 2016 |
Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis A Kumar, S Roy, S Tripathi, A Sharma Journal of Biomolecular Structure and Dynamics 34 (2), 239-249, 2016 | 53 | 2016 |
Antibiotics potentiating potential of catharanthine against superbug Pseudomonas aeruginosa GR Dwivedi, R Tyagi, Sanchita, S Tripathi, S Pati, SK Srivastava, ... Journal of Biomolecular Structure and Dynamics 36 (16), 4270-4284, 2018 | 43 | 2018 |
Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4′ benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics … A Kumar, S Srivastava, S Tripathi, SK Singh, S Srikrishna, A Sharma Journal of Biomolecular Structure and Dynamics 34 (6), 1252-1263, 2016 | 43 | 2016 |
Synergy Potential of Indole Alkaloids and Its Derivative against Drug‐resistant Escherichia coli GR Dwivedi, S Gupta, A Maurya, S Tripathi, A Sharma, MP Darokar, ... Chemical Biology & Drug Design 86 (6), 1471-1481, 2015 | 32 | 2015 |
Molecular investigation of active binding site of isoniazid (INH) and insight into resistance mechanism of S315T-MtKatG in Mycobacterium tuberculosis G Srivastava, S Tripathi, A Kumar, A Sharma Tuberculosis 105, 18-27, 2017 | 21 | 2017 |
Insight into microtubule destabilization mechanism of 3, 4, 5-trimethoxyphenyl indanone derivatives using molecular dynamics simulation and conformational modes analysis S Tripathi, G Srivastava, A Singh, AP Prakasham, AS Negi, A Sharma Journal of Computer-Aided Molecular Design 32, 559-572, 2018 | 15 | 2018 |
Cadmium-induced conformational changes in type 2 metallothionein of medicinal plant Coptis japonica: insights from molecular dynamics studies of apo, partially … G Singh, S Tripathi, K Shanker, A Sharma Journal of Biomolecular Structure and Dynamics 37 (6), 1520-1533, 2019 | 14 | 2019 |
Molecular insight into multiple RpoB clinical mutants of Mycobacterium tuberculosis: An attempt to probe structural variations in rifampicin binding site underlying drug resistance G Srivastava, S Tripathi, A Kumar, A Sharma International journal of biological macromolecules 120, 2200-2214, 2018 | 9 | 2018 |
A novel molecular scaffold resensitizes multidrug-resistant S. aureus to fluoroquinolones A Panjla, G Kaul, M Shukla, S Tripathi, NN Nair, S Chopra, S Verma Chemical communications 55 (59), 8599-8602, 2019 | 8 | 2019 |
Structural investigations into the binding mode of novel neolignans Cmp10 and Cmp19 microtubule stabilizers by in silico molecular docking, molecular dynamics, and binding free … S Tripathi, A Kumar, BS Kumar, AS Negi, A Sharma Journal of Biomolecular Structure and Dynamics 34 (6), 1232-1240, 2016 | 8 | 2016 |
Design and synthesis of 3-arylbenzopyran based non-steroidal vitamin-D 3 mimics as osteogenic agents MI Ahmad, DS Raghuvanshi, S Singh, AA John, R Prakash, KS Nainawat, ... MedChemComm 7 (12), 2381-2394, 2016 | 7 | 2016 |
Syntheses of conformationally restricted benzopyran based triarylethylenes as growth inhibitors of carcinoma cells MI Ahmad, S Dixit, R Konwar, PG Vasdev, AK Yadav, S Tripathi, ... Bioorganic & Medicinal Chemistry Letters 27 (22), 5040-5045, 2017 | 6 | 2017 |
Computational Design of Multi-Target Drugs Against Breast Cancer S Tripathi, G Srivastava, A Sharma Multi-Target Drug Design Using Chem-Bioinformatic Approaches, 443-458, 2019 | 2 | 2019 |
Current trends in docking methodologies S Tripathi, A Kumar, AK Kahlon, A Sharma Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery …, 2016 | 1 | 2016 |
Temperature Accelerated Sliced Sampling to Probe Ligand Dissociation from Protein S Tripathi, NN Nair Journal of Chemical Information and Modeling 63 (16), 5182-5191, 2023 | | 2023 |
Coupling of conformational dynamics and inhibitor binding in the phosphodiesterase‐5 family S Tripathi, RH Cote, H Vashisth Protein Science 32 (8), e4720, 2023 | | 2023 |
A Temperature Accelerated Sliced Sampling Study on Drug Binding/Unbinding Shubhandra Tripathi and Nisanth N. Nair Department of ChemistryIndian Institute of Technology … S Tripathi, N Nair APS March Meeting Abstracts 2021, M71. 312, 2021 | | 2021 |
Corrigendum to" Molecular insight into multiple RpoB clinical mutants of Mycobacterium tuberculosis: An attempt to probe structural variations in rifampicin binding site … G Srivastava, S Tripathi, A Kumar, A Sharma International journal of biological macromolecules 134, 1220, 2019 | | 2019 |
Recent Developments and Future Prospects of Natural and Synthetic Antitubercular Peptide Drugs AK Kahlon, S Tripathi, A Sharma Applied Microbiology and Bioengineering, 121-159, 2019 | | 2019 |