Search

Categories

Biological and Medicinal Chemistry

(1)

Inorganic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Keywords

Authors

Mirko Paulikat

2 results in Authors: Mirko Paulikat

Theoretical and Computational Chemistry

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni

Version 1 posted 29 March 2023

397

Downloads

Inorganic Chemistry

Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes

Mirko Paulikat, Daniele Vitone, Florian K. Schackert, Nils Schuth, Alessandra Barbanente, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, Adam H. Clark, Maarten Nachtegaal, Michael Haumann, Holger Dau, Paolo Carloni, Silvano Geremia, Rita De Zorzi, Liliana Quintanar, Fabio Arnesano

Version 2 posted 08 July 2022

462

Downloads

2

Citations