| Understanding protein domain-swapping using structure-based models of protein folding NM Mascarenhas, S Gosavi Progress in Biophysics and Molecular Biology 128, 113-120, 2017 | 52 | 2017 |
| A five-residue motif for the design of domain swapping in proteins N Nandwani, P Surana, H Negi, NM Mascarenhas, JB Udgaonkar, R Das, ... Nature communications 10 (1), 452, 2019 | 43 | 2019 |
| An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation–A case study with CDK2/CyclinA NM Mascarenhas, N Ghoshal European journal of medicinal chemistry 43 (12), 2807-2818, 2008 | 39 | 2008 |
| Hybrid structure-based virtual screening protocol for the identification of novel BACE1 inhibitors RSK Vijayan, M Prabu, NM Mascarenhas, N Ghoshal Journal of chemical information and modeling 49 (3), 647-657, 2009 | 28 | 2009 |
| Cysteine-3 and cysteine-4 are essential for the thioredoxin-like oxidoreductase and antioxidant activities of Plasmodium falciparum macrophage migration inhibitory factor A Alam, M Goyal, MS Iqbal, S Bindu, S Dey, C Pal, P Maity, ... Free Radical Biology and Medicine 50 (11), 1659-1668, 2011 | 23 | 2011 |
| Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibition NM Mascarenhas, N Ghoshal Journal of Chemical Information and Modeling 48 (7), 1325-1336, 2008 | 22 | 2008 |
| Protein domain-swapping can be a consequence of functional residues NM Mascarenhas, S Gosavi The Journal of Physical Chemistry B 120 (28), 6929-6938, 2016 | 20 | 2016 |
| Why pyridine containing pyrido [2, 3-d] pyrimidin-7-ones selectively inhibit CDK4 than CDK2: insights from molecular dynamics simulation NM Mascarenhas, D Bhattacharyya, N Ghoshal Journal of Molecular Graphics and Modelling 28 (7), 695-706, 2010 | 20 | 2010 |
| How maltose influences structural changes to bind to maltose‐binding protein: results from umbrella sampling simulation NM Mascarenhas, J Kästner Proteins: Structure, Function, and Bioinformatics 81 (2), 185-198, 2013 | 19 | 2013 |
| Are different stoichiometries feasible for complexes between lymphotoxin-alpha and tumor necrosis factor receptor 1? NM Mascarenhas, J Kästner BMC Structural Biology 12, 1-14, 2012 | 8 | 2012 |
| Structure dictates the mechanism of ligand recognition in the histidine and maltose binding proteins LP Jayanthi, NM Mascarenhas, S Gosavi Current Research in Structural Biology 2, 180-190, 2020 | 7 | 2020 |
| Intrinsic disorder in a well-folded globular protein NM Mascarenhas, VL Terse, S Gosavi The Journal of Physical Chemistry B 122 (6), 1876-1884, 2018 | 5 | 2018 |
| Deciphering the Structural Requirements of Nucleoside Bisubstrate Analogues for Inhibition of MbtA in Mycobacterium tuberculosis: A FB‐QSAR Study and Combinatorial Library … L Maganti, SK Das, NM Mascarenhas, N Ghoshal Molecular Informatics 30 (10), 863-872, 2011 | 5 | 2011 |
| Understanding Protein Domain-Swapping in the Cystatin-Monellin Family of Proteins NM Mascarenhas, S Gosavi Biophysical Journal 112 (3), 168a, 2017 | 2 | 2017 |
| The role of C-terminal helix in the conformational transition of an arginine binding protein V Santhakumar, NM Mascarenhas Journal of Structural Biology: X 6, 100071, 2022 | | 2022 |
| Rational Control over Protein Oligomerization through Engineered Domain Swapping N Nandwani, P Surana, N Mascarenhas, J Udgaonkar, R Das, S Gosavi PROTEIN SCIENCE 26, 61-62, 2017 | | 2017 |
| Understanding Conformational Changes in Periplasmic Binding Proteins NM Mascarenhas, S Gosavi Biophysical Journal 110 (3), 55a, 2016 | | 2016 |
| Cysteine-3 and cysteine-4 are essential for the thioredoxin-like oxidoreductase and antioxidant activities of Plasmodium falciparum macrophage migration … AA Athar Alam, MG Manish Goyal, MS Iqbal, SB Samik Bindu, ... | | 2011 |
| The role of C-terminal helix in the conformational transition of an arginine binding protein NM Mascarenhas, V Santhakumar Available at SSRN 4183329, 0 | | |
| Understanding Selective CDK4 Inhibition Through Molecular Dynamics NM Mascarenhas, N Ghoshal | | |
