| Potential of mean force calculations of ligand binding to ion channels from Jarzynski’s equality and umbrella sampling T Baştuğ, PC Chen, SM Patra, S Kuyucak The Journal of chemical physics 128 (15), 2008 | 115 | 2008 |
| Backbone cluster identification in proteins by a graph theoretical method SM Patra, S Vishveshwara Biophysical Chemistry 84 (1), 13-25, 2000 | 68 | 2000 |
| Role of protein flexibility in ion permeation: a case study in gramicidin A T Baştuğ, A Gray-Weale, SM Patra, S Kuyucak Biophysical journal 90 (7), 2285-2296, 2006 | 53 | 2006 |
| Differential dynamics of the serotonin1A receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation SM Patra, S Chakraborty, G Shahane, X Prasanna, D Sengupta, PK Maiti, ... Molecular membrane biology 32 (4), 127-137, 2015 | 40 | 2015 |
| Molecular dynamics simulations of gramicidin A in a lipid bilayer: From structure–function relations to force fields T BaştuĞ, SM Patra, S Kuyucak Chemistry and physics of lipids 141 (1-2), 197-204, 2006 | 27 | 2006 |
| Binding of organic cations to gramicidin A channel studied with AutoDock and molecular dynamics simulations SM Patra, T Baştuǧ, S Kuyucak The Journal of Physical Chemistry B 111 (38), 11303-11311, 2007 | 20 | 2007 |
| Finite system and periodicity effects in free energy simulations of membrane proteins T Baştuğ, SM Patra, S Kuyucak Chemical physics letters 425 (4-6), 320-323, 2006 | 20 | 2006 |
| Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of and toxin nanopores in lipid membranes R Desikan, SM Patra, K Sarthak, PK Maiti, KG Ayappa Journal of Chemical Sciences 129 (7), 1017-1030, 2017 | 19 | 2017 |
| Sequence design in lattice models by graph theoretical methods BS Sanjeev, SM Patra, S Vishveshwara The Journal of Chemical Physics 114 (4), 1906-1914, 2001 | 13 | 2001 |
| Synthesis, antioxidant and anti-diabetic potential of novel benzimidazole substituted coumarin-3-carboxamides DN Patagar, SR Batakurki, R Kusanur, SM Patra, S Saravanakumar, ... Journal of Molecular Structure 1274, 134589, 2023 | 12 | 2023 |
| Spiro benzodiazepine substituted fluorocoumarins as potent anti-anxiety agents D Patagar, A Uttarkar, SM Patra, JH Patil, R Kusanur, V Niranjan, ... Russian Journal of Bioorganic Chemistry 47 (2), 390-398, 2021 | 10 | 2021 |
| Classification of polymer structures by graph theory SM Patra, S Vishveshwara International journal of quantum chemistry 71 (4), 349-356, 1999 | 10 | 1999 |
| Graph‐theoretic study of certain interstellar reactions SM Patra, RK Mishra, BK Mishra International journal of quantum chemistry 62 (5), 495-508, 1997 | 10 | 1997 |
| Dermatological disease detection using image processing and neural networks S Kalaiarasi, H Kumar, S Patra International Journal of Computer Science and Mobile Applications 6 (4), 109-118, 2018 | 9 | 2018 |
| Quantum chemical computations, fluorescence spectral features and molecular docking of two biologically active heterocyclic class of compounds R Melavanki, K Sharma, VT Muttannavar, R Kusanur, K Katagi, SM Patra, ... Journal of Photochemistry and Photobiology A: Chemistry 404, 112956, 2021 | 8 | 2021 |
| Academic Excellence through attainment of course outcomes a case study on Engineering Chemistry SM Patra, PR Kumar Journal of Educational Research and Medical Teacher 4 (1), 09-19, 2016 | 7 | 2016 |
| Ordering the Isomeric Molecules through the Graph Spectrum: Generation of Two Topological Indices Depicting the Branch and Linear Characters (A Computational Method). SM Patra, RK Mishra Bulletin of the Chemical Society of Japan 70 (5), 997-1001, 1997 | 7 | 1997 |
| Splitting of the characteristic polynomial (CP) using a computational technique to obtain the factors of the mirror plane and two‐, three‐, and n‐fold symmetric graph SM Patra, RK Mishra International Journal of Quantum Chemistry 53 (4), 361-374, 1995 | 5 | 1995 |
| Targeting non-structural proteins and 3CLpro in SARS-CoV-2 virus using phytochemicals from medicinal plants-In-silico approach H Rajaram, N Harshitha, SA Ram, SM Patra, V Niranjan, ... Journal of the Indian Chemical Society 99 (6), 100488, 2022 | 3 | 2022 |
| Screening of druggable conformers of α-synuclein using molecular dynamics simulation VSKM Dorothy Das, Mridusmita Kakati, Aroon Gracy, Airy Sanjeev, Swarna Mayee ... Biointerface Res. Appl. Chem 10 (3), 5338, 2020 | 3 | 2020 |
Serdar KuyucakUniversity of SydneyVerified email at sydney.edu.au
