Alexandre Beautrait

Affiliations

Schrödinger, Inc., 1540 Broadway, 24th Floor, New York, New York 10036, United States.

Publications (6)

Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.

Journal of chemical information and modeling

Avec: Wei Chen , Di Cui , Steven V Jerome , Mayako Michino , Eelke B Lenselink , David J Huggins , Alexandre Beautrait , Jeremie Vendome , Robert Abel , Richard A Friesner , Lingle Wang

Beta-arrestins operate an on/off control switch for focal adhesion kinase activity.

Cellular and molecular life sciences : CMLS

Avec: Revu Ann Alexander , Isaure Lot , Kusumika Saha , Guillaume Abadie , Mireille Lambert , Eleonore Decosta , Hiroyuki Kobayashi , Alexandre Beautrait , Aurélie Borrull , Atef Asnacios , Michel Bouvier , Mark G H Scott , Stefano Marullo , Hervé Enslen

Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen.

Nature communications

Avec: Jenna Giubilaro , Doris A Schuetz , Tomasz M Stepniewski , Yoon Namkung , Etienne Khoury , Mónica Lara-Márquez , Shirley Campbell , Alexandre Beautrait , Sylvain Armando , Olivier Radresa , Jean Duchaine , Nathalie Lamarche-Vane , Audrey Claing , Jana Selent , Michel Bouvier , Anne Marinier , Stéphane A Laporte

Identification of Allosteric Inhibitors against Active Caspase-6.

Scientific reports

Avec: Agne Tubeleviciute-Aydin , Alexandre Beautrait , Jeffrey Lynham , Gyanesh Sharma , Alexei Gorelik , Ludovic J Deny , Naoto Soya , Gergely L Lukacs , Bhushan Nagar , Anne Marinier , Andrea C LeBlanc

Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.

ACS bio & med chem Au

Avec: Mayako Michino , Alexandre Beautrait , Nicholas A Boyles , Aparna Nadupalli , Alexey Dementiev , Shan Sun , John Ginn , Leigh Baxt , Robert Suto , Ruslana Bryk , Steven V Jerome , David J Huggins , Jeremie Vendome

Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models.

Journal of chemical theory and computation

Avec: Tianchuan Xu , Kai Zhu , Alexandre Beautrait , Jeremie Vendome , Kenneth W Borrelli , Robert Abel , Richard A Friesner , Edward B Miller

Réseau de co-auteurs

Jeremie Vendome 3 collaborations

Steven V Jerome 2 collaborations

Mayako Michino 2 collaborations

David J Huggins 2 collaborations

Robert Abel 2 collaborations

Richard A Friesner 2 collaborations

Michel Bouvier 2 collaborations

Anne Marinier 2 collaborations

Wei Chen 1 collaboration

Di Cui 1 collaboration

Eelke B Lenselink 1 collaboration

Lingle Wang 1 collaboration

Revu Ann Alexander 1 collaboration

Isaure Lot 1 collaboration

Kusumika Saha 1 collaboration

Guillaume Abadie 1 collaboration

Mireille Lambert 1 collaboration

Eleonore Decosta 1 collaboration

Hiroyuki Kobayashi 1 collaboration

Aurélie Borrull 1 collaboration

Atef Asnacios 1 collaboration

Mark G H Scott 1 collaboration

Stefano Marullo 1 collaboration

Hervé Enslen 1 collaboration

Jenna Giubilaro 1 collaboration

Doris A Schuetz 1 collaboration

Tomasz M Stepniewski 1 collaboration

Yoon Namkung 1 collaboration

Etienne Khoury 1 collaboration

Mónica Lara-Márquez 1 collaboration

Shirley Campbell 1 collaboration

Sylvain Armando 1 collaboration

Olivier Radresa 1 collaboration

Jean Duchaine 1 collaboration

Nathalie Lamarche-Vane 1 collaboration

Audrey Claing 1 collaboration

Jana Selent 1 collaboration

Stéphane A Laporte 1 collaboration

Agne Tubeleviciute-Aydin 1 collaboration

Jeffrey Lynham 1 collaboration

Gyanesh Sharma 1 collaboration

Alexei Gorelik 1 collaboration

Ludovic J Deny 1 collaboration

Naoto Soya 1 collaboration

Gergely L Lukacs 1 collaboration

Bhushan Nagar 1 collaboration

Andrea C LeBlanc 1 collaboration

Nicholas A Boyles 1 collaboration

Aparna Nadupalli 1 collaboration

Alexey Dementiev 1 collaboration

Shan Sun 1 collaboration

John Ginn 1 collaboration

Leigh Baxt 1 collaboration

Robert Suto 1 collaboration

Ruslana Bryk 1 collaboration

Tianchuan Xu 1 collaboration

Kai Zhu 1 collaboration

Kenneth W Borrelli 1 collaboration

Edward B Miller 1 collaboration