Andrea Rizzi

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 11

Top Venues

Journal of computer-aided molecular design

PNAS nexus

The journal of physical chemistry letters

Proceedings of the National Academy of Sciences of the United States of America

Weill Cornell Medical College (PHD)

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

Education History

Weill Cornell Medical College Jul 02 2014

United States

PHD

Politecnico di Milano Aug 27 2010 - Apr 29 2014

Italy

MSC

Politecnico di Milano Sep 01 2007 - Sep 21 2010

Italy

BSC

Publications

Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Effective data-driven collective variables for free energy calculations from metadynamics of paths. PNAS nexus 3 (4) (2024)
Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Effective data-driven collective variables for free energy calculations from metadynamics of paths. PNAS nexus 3 (4) (2024)
Luigi Bonati, Enrico Trizio, Andrea Rizzi, Michele Parrinello
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar. The Journal of chemical physics 159 (1) (2023)
Andrea Rizzi, Paolo Carloni, Michele Parrinello
Free energies at QM accuracy from force fields via multimap targeted estimation. Proceedings of the National Academy of Sciences of the United States of America 120 (46) (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)
Mehtap Işık, Ariën S Rustenburg, Andrea Rizzi, M R Gunner, David L Mobley, John D Chodera
Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions. Journal of computer-aided molecular design 35 (2) (2021)
Andrea Rizzi, Paolo Carloni, Michele Parrinello
Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials. The journal of physical chemistry letters 12 (39) (2021)
Andrea Rizzi, Travis Jensen, David R Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M Henriksen, Bert L de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K Gilson, Michael R Shirts, David L Mobley, John D Chodera
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of computer-aided molecular design 34 (5) (2020)
Mehtap Işık, Teresa Danielle Bergazin, Thomas Fox, Andrea Rizzi, John D Chodera, David L Mobley
Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge. Journal of computer-aided molecular design 34 (4) (2020)
Gerard Minuesa, Steven K Albanese, Wei Xie, Yaniv Kazansky, Daniel Worroll, Arthur Chow, Alexandra Schurer, Sun-Mi Park, Christina Z Rotsides, James Taggart, Andrea Rizzi, Levi N Naden, Timothy Chou, Saroj Gourkanti, Daniel Cappel, Maria C Passarelli, Lauren Fairchild, Carolina Adura, J Fraser Glickman, Jessica Schulman, Christopher Famulare, Minal Patel, Joseph K Eibl, Gregory M Ross, Shibani Bhattacharya, Derek S Tan, Christina S Leslie, Thijs Beuming, Dinshaw J Patel, Yehuda Goldgur, John D Chodera, Michael Gregory Kharas
Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia. Nature communications 10 (1) (2019)
Andrea Rizzi, Steven Murkli, J Nolan McNeill, Wei Yao, Matthew Sullivan, Michael K Gilson, Michael W Chiu, Lyle D Isaacs, Anthony Wishard, David L Mobley, John D Chodera
Overview of the SAMPL6 host-guest binding affinity prediction challenge. Journal of computer-aided molecular design 32 (10) (2018)

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Publication Activity (10 Years)

Top Topics

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Andrea Rizzi