Bharath Raghavan

Publication Activity (10 Years)

Years Active: 2023-2023
Publications (10 Years): 5

Top Topics

Endothelial Cells

Molecularly Imprinted

Molecular Dynamics

Intimate Partner Violence

Top Venues

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling (2023)
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling 63 (5) (2023)
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling 63 (5) (2023)
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. Journal of chemical information and modeling (2023)
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling 63 (5) (2023)