Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge CL Lawson, A Kryshtafovych, PD Adams, PV Afonine, ML Baker, ... Nature methods 18 (2), 156-164, 2021 | 73 | 2021 |
The molecular tweezer CLR01 stabilizes a disordered protein–protein interface D Bier, S Mittal, K Bravo-Rodriguez, A Sowislok, X Guillory, J Briels, ... Journal of the American Chemical Society 139 (45), 16256-16263, 2017 | 57 | 2017 |
Molecular tweezers inhibit islet amyloid polypeptide assembly and toxicity by a new mechanism DHJ Lopes, A Attar, G Nair, EY Hayden, Z Du, K McDaniel, S Dutt, ... ACS chemical biology 10 (6), 1555-1569, 2015 | 51 | 2015 |
Inhibition of huntingtin exon-1 aggregation by the molecular tweezer CLR01 T Vöpel, K Bravo-Rodriguez, S Mittal, S Vachharajani, D Gnutt, ... Journal of the American Chemical Society 139 (16), 5640-5643, 2017 | 48 | 2017 |
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials JW Vant, SLJ Lahey, K Jana, M Shekhar, D Sarkar, BH Munk, ... Journal of Chemical Information and Modeling 60 (5), 2591–2604, 2020 | 26 | 2020 |
Rational Design, Binding Studies and Crystal Structure Evaluation of the First Ligand Targeting the Dimerization Interface of the 14‐3‐3ζ Adapter Protein M Ehlers, JN Grad, S Mittal, D Bier, M Mertel, L Ohl, M Bartel, J Briels, ... ChemBioChem, 2017 | 17 | 2017 |
Mechanism of inhibition of beta amyloid toxicity by supramolecular tweezers S Mittal, K Bravo-Rodriguez, E Sanchez-Garcia The Journal of Physical Chemistry B 122 (15), 4196-4205, 2018 | 14 | 2018 |
Solvent‐Enhanced Conformational Flexibility of Cyclic Tetrapeptides N Berger, L Wollny, P Sokkar, S Mittal, J Mieres-Perez, R Stoll, W Sander, ... ChemPhysChem, 2019 | 5 | 2019 |
Ab-initio study on the covalent nature of hydrogen bonding in cellobiose S Mittal, S Prasad, RS Payal, S Ravi Cellulose 30 (2), 689-704, 2023 | 3 | 2023 |
The influence of sugar–phosphate backbone on the stacking interaction in B-DNA helix formation S Mittal, BK Mishra, N Sathyamurthy Current Science, 1126-1131, 2015 | 3 | 2015 |
Spectroscopic and DFT investigations: Mesogenic alpha-Naphthyl derivatives with central cinnamate and ester linkages S Thakur, HN Patel, S Mittal, K Agrawal Journal of Molecular Structure 1275, 134629, 2023 | 2 | 2023 |
11th German Conference on Chemoinformatics (GCC 2015) U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, ... Journal of cheminformatics 8 (1), 1-27, 2016 | 2 | 2016 |
Molecular Dynamics Flexible Fitting: All You Want to Know About Resolution Exchange JW Vant, D Sarkar, C Gupta, MS Shekhar, S Mittal, A Singharoy Protein Structure Prediction, 301-315, 2020 | 1 | 2020 |
Ab initio Modeling of Hydrogen Bonding of Remdesivir and Adenosine with Uridine K Vishwakarma, S Ravi, S Mittal ChemPhysChem 25 (3), e202300552, 2024 | | 2024 |
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge C Lawson, A Kryshtafovych, G Pintilie, S Burley, J Cerny, V Chen, ... Research Square, 2024 | | 2024 |
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge (preprint) C Lawson, A Kryshtafovych, G Pintilie, S Burley, J Cerny, V Chen, ... | | 2024 |
Perspective on Integrative Simulations of Bioenergetic Domains MM Pirnia, R Maqdisi, S Mital, M Sener, A Singharoy | | 2023 |
Consensus Model of Mechanophore Sensors for Biological Force Measurement S Mittal, RE Wang, R Ros, AE Ondrus, A Singharoy | | 2023 |
Electronic Structure Studies of Noncovalent Interactions in B-DNA: Effect of Sugar-Phosphate Backbone S Mittal IISER M, 2013 | | 2013 |