Laura Bonati

Affiliations

Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.

ORCID: http://orcid.org/0000-0003-3028-0368

Publications (16)

The role of water in host-guest interaction.

Nature communications

Avec: Valerio Rizzi , Luigi Bonati , Narjes Ansari , Michele Parrinello

Optimization of therapeutic antibodies by predicting antigen specificity from antibody sequence via deep learning.

Nature biomedical engineering

Avec: Derek M Mason , Simon Friedensohn , Cédric R Weber , Christian Jordi , Bastian Wagner , Simon M Meng , Roy A Ehling , Lucia Bonati , Jan Dahinden , Pablo Gainza , Bruno E Correia , Sai T Reddy

Computational prediction and in vitro validation of VEGFR1 as a novel protein target for 2,3,7,8-tetrachlorodibenzo-p-dioxin.

Scientific reports

Avec: Kumaraswamy Naidu Chitrala , Xiaoming Yang , Brandon Busbee , Narendra P Singh , Laura Bonati , Yongna Xing , Prakash Nagarkatti , Mitzi Nagarkatti

Sex-related electrocardiographic differences in patients with different types of atrial fibrillation: Results from the SWISS-AF study.

International journal of cardiology

Avec: Rita Laureanti , Giulio Conte , Valentina D A Corino , Stefan Osswald , David Conen , Laurent Roten , Nicolas Rodondi , Peter Ammann , Christine S Meyer-Zuern , Leo Bonati , Luca T Mainardi , Angelo Auricchio , Auteur inconnu

Deep learning the slow modes for rare events sampling.

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

Avec: Luigi Bonati , GiovanniMaria Piccini , Michele Parrinello

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

Journal of chemical information and modeling

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

Sex differences in functional outcomes of intravenous thrombolysis among patients with lacunar stroke.

Frontiers in neurology

Avec: Patrizia Wueger , Roberta Noseda , Alberto Pagnamenta , Giovanni Bianco , David Seiffge , Patrik Michel , Krassen Nedeltchev , Leo Bonati , Georg Kägi , Julien Niederhauser , Thomas Nyffeler , Andreas Luft , Susanne Wegener , Ludwig Schelosky , Friedrich Medlin , Biljana Rodic , Nils Peters , Susanne Renaud , Marie Luise Mono , Emmanuel Carrera , Urs Fischer , Gian Marco De Marchis , Carlo W Cereda

Data-Driven Collective Variables for Enhanced Sampling.

The journal of physical chemistry letters

Avec: Luigi Bonati , Valerio Rizzi , Michele Parrinello

Small vessel disease is associated with an unfavourable outcome in stroke patients on oral anticoagulation.

European stroke journal

Avec: Lisa Hert , Alexandros A Polymeris , Sabine Schaedelin , Johanna Lieb , David J Seiffge , Christopher Traenka , Joachim Fladt , Sebastian Thilemann , Henrik Gensicke , Gian Marco De Marchis , Leo Bonati , Philippe Lyrer , Stefan T Engelter , Nils Peters

Ab initio phase diagram and nucleation of gallium.

Nature communications

Avec: Haiyang Niu , Luigi Bonati , Pablo M Piaggi , Michele Parrinello

Nontraumatic Headache in Adult Emergency Patients: Prevalence, Etiologies, and Radiological Findings.

Journal of clinical medicine

Avec: Nadja Handschin , Maria Oppliger , Alex Brehm , Marios Psychogios , Leo Bonati , Christian H Nickel , Roland Bingisser

Transitional States in Ligand-Dependent Transformation of the Aryl Hydrocarbon Receptor into Its DNA-Binding Form.

International journal of molecular sciences

Avec: Anatoly A Soshilov , Stefano Motta , Laura Bonati , Michael S Denison

Modeling the binding of diverse ligands within the Ah receptor ligand binding domain.

Scientific reports

Avec: Sara Giani Tagliabue , Samantha C Faber , Stefano Motta , Michael S Denison , Laura Bonati

Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process.

Journal of chemical theory and computation

Avec: Lara Callea , Laura Bonati , Stefano Motta

Rational Design of Chemically Controlled Antibodies and Protein Therapeutics.

ACS chemical biology

Avec: Anthony Marchand , Lucia Bonati , Sailan Shui , Leo Scheller , Pablo Gainza , Stéphane Rosset , Sandrine Georgeon , Li Tang , Bruno E Correia

A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar.

The Journal of chemical physics

Avec: Luigi Bonati , Enrico Trizio , Andrea Rizzi , Michele Parrinello

Réseau de co-auteurs

Luigi Bonati 5 collaborations

Michele Parrinello 5 collaborations

Leo Bonati 4 collaborations

Stefano Motta 3 collaborations

Valerio Rizzi 2 collaborations

Lucia Bonati 2 collaborations

Pablo Gainza 2 collaborations

Bruno E Correia 2 collaborations

Lara Callea 2 collaborations

Andrea Rizzi 2 collaborations

Nils Peters 2 collaborations

Gian Marco De Marchis 2 collaborations

Michael S Denison 2 collaborations

Narjes Ansari 1 collaboration

Derek M Mason 1 collaboration

Simon Friedensohn 1 collaboration

Cédric R Weber 1 collaboration

Christian Jordi 1 collaboration

Bastian Wagner 1 collaboration

Simon M Meng 1 collaboration

Roy A Ehling 1 collaboration

Jan Dahinden 1 collaboration

Sai T Reddy 1 collaboration

Kumaraswamy Naidu Chitrala 1 collaboration

Xiaoming Yang 1 collaboration

Brandon Busbee 1 collaboration

Narendra P Singh 1 collaboration

Yongna Xing 1 collaboration

Prakash Nagarkatti 1 collaboration

Mitzi Nagarkatti 1 collaboration

Rita Laureanti 1 collaboration

Giulio Conte 1 collaboration

Valentina D A Corino 1 collaboration

Stefan Osswald 1 collaboration

David Conen 1 collaboration

Laurent Roten 1 collaboration

Nicolas Rodondi 1 collaboration

Peter Ammann 1 collaboration

Christine S Meyer-Zuern 1 collaboration

Luca T Mainardi 1 collaboration

Angelo Auricchio 1 collaboration

None None 1 collaboration

GiovanniMaria Piccini 1 collaboration

Bharath Raghavan 1 collaboration

Mirko Paulikat 1 collaboration

Katya Ahmad 1 collaboration

Emiliano Ippoliti 1 collaboration

Davide Mandelli 1 collaboration

Marco De Vivo 1 collaboration

Paolo Carloni 1 collaboration

Patrizia Wueger 1 collaboration

Roberta Noseda 1 collaboration

Alberto Pagnamenta 1 collaboration

Giovanni Bianco 1 collaboration

David Seiffge 1 collaboration

Patrik Michel 1 collaboration

Krassen Nedeltchev 1 collaboration

Georg Kägi 1 collaboration

Julien Niederhauser 1 collaboration

Thomas Nyffeler 1 collaboration

Andreas Luft 1 collaboration

Susanne Wegener 1 collaboration

Ludwig Schelosky 1 collaboration

Friedrich Medlin 1 collaboration

Biljana Rodic 1 collaboration

Susanne Renaud 1 collaboration

Marie Luise Mono 1 collaboration

Emmanuel Carrera 1 collaboration

Urs Fischer 1 collaboration

Carlo W Cereda 1 collaboration

Lisa Hert 1 collaboration

Alexandros A Polymeris 1 collaboration

Sabine Schaedelin 1 collaboration

Johanna Lieb 1 collaboration

David J Seiffge 1 collaboration

Christopher Traenka 1 collaboration

Joachim Fladt 1 collaboration

Sebastian Thilemann 1 collaboration

Henrik Gensicke 1 collaboration

Philippe Lyrer 1 collaboration

Stefan T Engelter 1 collaboration

Haiyang Niu 1 collaboration

Pablo M Piaggi 1 collaboration

Nadja Handschin 1 collaboration

Maria Oppliger 1 collaboration

Alex Brehm 1 collaboration

Marios Psychogios 1 collaboration

Christian H Nickel 1 collaboration

Roland Bingisser 1 collaboration

Anatoly A Soshilov 1 collaboration

Sara Giani Tagliabue 1 collaboration

Samantha C Faber 1 collaboration

Anthony Marchand 1 collaboration

Sailan Shui 1 collaboration

Leo Scheller 1 collaboration

Stéphane Rosset 1 collaboration

Sandrine Georgeon 1 collaboration

Li Tang 1 collaboration

Enrico Trizio 1 collaboration