Atharva Kelkar

Atharva Kelkar

Freie Universität Berlin - Berlin / Germany
Natural Sciences / Mathematical Sciences
AD Scientific Index ID: 5177498
Free University of Berlin
person_outline Atharva Kelkar's MOST POPULAR ARTICLES
1-) Machine learned coarse-grained protein force-fields: Are we there yet?AEP Durumeric, NE Charron, C Templeton, F Musil, K Bonneau, ...Current Opinion in Structural Biology 79, 102533, 2023282023
2-) Structure prediction of protein-ligand complexes from sequence information with UmolP Bryant, A Kelkar, A Guljas, C Clementi, F NoéNature Communications 15 (1), 4536, 2024262024
3-) Predicting Hydrophobicity by Learning Spatiotemporal Features of Interfacial Water Structure: Combining Molecular Dynamics Simulations with Convolutional Neural NetworksAS Kelkar, BC Dallin, RC Van LehnThe Journal of Physical Chemistry B 124 (41), 9103-9114, 2020212020
4-) Topological Analysis of Molecular Dynamics Simulations using the Euler CharacteristicA Smith, S Runde, AK Chew, AS Kelkar, U Maheshwari, RC Van Lehn, ...Journal of Chemical Theory and Computation 19 (5), 1553-1567, 2023142023
5-) Navigating protein landscapes with a machine-learned transferable coarse-grained modelNE Charron, F Musil, A Guljas, Y Chen, K Bonneau, AS Pasos-Trejo, ...arXiv preprint arXiv:2310.18278, 2023112023