Narjes Ansari

ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 11

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

The journal of physical chemistry. B

Nature communications

Università della Svizzera Italiana

Institute for Advanced Studies in Basic Sciences (PHD)

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

Affiliation History

Università della Svizzera Italiana

Switzerland

Postdoc

ETH Zurich

Switzerland

Postdoc

Abdus Salam International Centre for Theoretical Physics

Italy

Postdoc

Education History

Institute for Advanced Studies in Basic Sciences

Iran

PHD :: Physical Chemistry

Publications

Simone Albani, Elisa Costanzi, Gia Linh Hoang, Maria Kuzikov, Marcus Frings, Narjes Ansari, Nicola Demitri, Toan The Nguyen, Valerio Rizzi, Jörg B Schulz, Carsten Bolm, Andrea Zaliani, Paolo Carloni, Paola Storici, Sybille Krauß
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. Journal of chemical information and modeling (2023)
Valerio Rizzi, Simone Aureli, Narjes Ansari, Francesco Luigi Gervasio
OneOPES, a Combined Enhanced Sampling Method to Rule Them All. Journal of chemical theory and computation (2023)
Narjes Ansari, Valerio Rizzi, Michele Parrinello
Water regulates the residence time of Benzamidine in Trypsin. Nature communications 13 (1) (2022)
Tereza Schönfeldová, Nathan Dupertuis, Yixing Chen, Narjes Ansari, Emiliano Poli, David M Wilkins, Ali A Hassanali, Sylvie Roke
Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water. The journal of physical chemistry letters 13 (32) (2022)
Dhiman Ray, Narjes Ansari, Valerio Rizzi, Michele Invernizzi, Michele Parrinello
Rare Event Kinetics from Adaptive Bias Enhanced Sampling. Journal of chemical theory and computation 18 (11) (2022)
Narjes Ansari, Valerio Rizzi, Paolo Carloni, Michele Parrinello
Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous Solution. Journal of the American Chemical Society 143 (33) (2021)
Narjes Ansari, Berk Onat, Gabriele Cesare Sosso, Ali Hassanali
Insights into the Emerging Networks of Voids in Simulated Supercooled Water. The journal of physical chemistry. B 124 (11) (2020)
Ciprian G Pruteanu, Victor Naden Robinson, Narjes Ansari, Ali Hassanali, Sandro Scandolo, John S Loveday
Squeezing Oil into Water under Pressure: Inverting the Hydrophobic Effect. The journal of physical chemistry letters 11 (12) (2020)
Jérôme Cuny, Jesus Cerda Calatayud, Narjes Ansari, Ali A Hassanali, Mathias Rapacioli, Aude Simon
Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges. The journal of physical chemistry. B 124 (34) (2020)
Narjes Ansari, Tarak Karmakar, Michele Parrinello
Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics Simulations. Journal of chemical theory and computation 16 (8) (2020)
Narjes Ansari, Alessandro Laio, Ali Hassanali
Spontaneously Forming Dendritic Voids in Liquid Water Can Host Small Polymers. The journal of physical chemistry letters 10 (18) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Narjes Ansari