News & Events
Sheenam's self-RBFE and ligand reorganization paper is out! -- January 22, 2024.
The OpenMM 8 paper is out! -- December 28, 2023.
Our ATM large-scale benchmarking paper with Psivant and Atommap is out! -- December 26, 2023.
Sheenam's successful PhD defense! -- November 16, 2023
Sheenam will defend on Thursday 11/16! — November 8, 2023
The first version of the AToM-OpenMM documentation is finally ready. — November 8, 2023
The SAMPL9 overview paper with our ATM contribution is out. — November 8, 2023
AToM-OpenMM is used to study the binding of atropisomeric ligands to tubulin. — October 31, 2023
Sheenam's work on self-RBFEs and ATM+Metadynamics sampling. — October 22, 2023
OpenMM 8 paper and ATMForce. — October 4, 2023
NIH Grant Awarded! — September 24, 2023
Results of a large-scale benchmark test of AToM-OpenMM at Roivant Sciences. — August 16, 2023
SAMPL9 publication. — July 22, 2023
Accelera publishes the results of AToM-OpenMM benchmarks. — April 12, 2023
Presentation at the Open-Source Symposium at the Fall ACS Meeting (San Francisco) — August 14, 2023
Presentation at the Free Energy Methods in Drug Design Symposium Novartis — May 11, 2023
Presentation at Ron Levy's Birthday Symposium (ACS National Meeting, Indianapolis) — March 27, 2023
Acellera tests AToM-OpenMM — March 22, 2023
Manuscript on SAMPL9 bCD host-guest binding free energy prediction challenge — February 22, 2023
A First draft of AToM-OpenMM Documentation Pages — February 19, 2023
A Computational Analysis of the Sequence-Dependence of Protein-Peptide Binding Energies — February 16, 2023
Alchemical Transfer Method (ATM): Tried and Tested — March 5, 2021
Tackling the GDCC hosts with ATM — Feb 22, 2021
A Big Welcome to the New Graduate Students Cohort — Aug 26, 2020
Emilio Gallicchio receives tenure and promotion to Associate Professor — Aug 26, 2020
OpenEye COMP Outstanding Junior Faculty Award — Mar 24, 2020 3:36:11 PM
Rajat Pal final PhD thesis defense! — Nov 9, 2019 4:25:24 PM
Talk at the Structure-Based Drug Discovery Conference (SBDD2019) on Free Energy-Based Virtual Screening — Oct 1, 2019 10:48:45 AM
Manuscript on Order/Disorder Transitions in Alchemical Binding Free Energy Calculations — Jul 15, 2019 10:39:22 PM
Talk at the Spring ACS Meeting on Overcoming Order/Disorder Transitions during Alchemical Transformations — Apr 3, 2019 5:39:46 PM
Excellent poster of Rajat Pal at the Spring ACS meeting — Apr 3, 2019 4:55:57 PM
Introducing Alchemical Models to Students at Pace University — Apr 3, 2019 4:49:33 PM
New Paper on an Analytic Model of Alchemical Molecular Binding — Nov 13, 2018 5:45:46 AM
Amédée Des Georges talk on cryoEM-based investigation of protein conformational changes — Oct 9, 2018 3:01:49 PM
Sci-Mix at Fall ACS Meeting in Boston — Aug 27, 2018 9:57:56 PM
Poster on Analytic Model for Molecular Binding at the Fall ACS Meeting in Boston — Aug 27, 2018 9:48:51 PM
Announcing ICoMPUte! — Jun 16, 2018 9:48:24 PM
NSF CAREER Award! — May 9, 2018 4:16:08 PM
Bruce Berne to give the 33rd Friedman Lecture at Brooklyn College — Mar 27, 2018 6:24:46 PM
A Step Closer to Reliable Modeling of Protein-Peptide Binding — Mar 18, 2018 4:26:09 AM
Journal Cover of Organic & Biomolecular Chemistry — Jan 4, 2018 3:46:14 PM
Release of the AGBNP1 OpenMM Plugin for GPUs — Oct 27, 2017 6:37:00 PM
Prof. Emilio Gallicchio presents at the Henry Wasser Award ceremony..!! — Sep 27, 2017 2:49:50 PM
NVIDIA Award! — Aug 23, 2017 10:14:24 PM
Professor Gallicchio is awarded the Henry Wasser Award from CUNY! — Jul 6, 2017 9:28:52 PM
Presentation on Analytic Model of Binding @CECAM — Jun 19, 2017 9:44:47 PM
A Novel Surface Area Algorithm for GPUs added to OpenMM — Jan 8, 2017 4:08:30 PM
Publication on binding free energy study of RNase H inhibitors — Sep 18, 2016 3:16:14 PM
CUNY IRG Award! — Sep 7, 2016 1:20:35 PM
Publication on SAMPL5 host-guest blinded challenge — Aug 24, 2016 7:50:48 PM
Review Paper on Computational Modeling of Protein-Peptide Interactions — Aug 24, 2016 7:48:03 PM
Posters at ACS Sci-Mix — Aug 24, 2016 7:24:42 PM
Presentation at the Vertex Free Energy Workshop — Jun 9, 2016 7:01:18 PM
Presentation on Software & Hardware Technologies at the Spring ACS Meeting in San Diego — Mar 17, 2016 10:20:39 PM
SAMPL5 Blinded Challenge — Mar 17, 2016 10:00:18 PM
Software Development Research Positions Available — Feb 20, 2016 3:42:10 PM
Daniele Di Marino on the Dimerization of GPCR's — Feb 20, 2016 3:26:32 PM
Kevin Ryan (CUNY City College) on how we smell ... molecules — Dec 4, 2015 3:28:26 PM
IBM World Community Grid adopts BEDAM — Oct 16, 2015 2:29:21 AM
The 2015 OpenMM/AGBNP/BEDAM Mini-Summit — Jul 7, 2015 4:14:52 PM
Flurry of Papers — Jun 15, 2015 2:50:36 AM
Work on protein-peptide binding to appear in Protein Science — May 15, 2015 9:31:10 PM
AGBNP3 released — May 12, 2015 1:55:03 PM
WEB Lab Computing Grid @Brooklyn College — Apr 19, 2015 2:48:32 AM
Paper on Host-Guest Binding Appears in the Journal of Computer Aided Molecular Design — Mar 6, 2015 3:21:11 PM
Silvia De Rubeis Seminar on Autism — Feb 6, 2015 5:43:34 PM
Update on AGBNP2 speed optimization — Nov 28, 2014 4:50:52 PM
BOINC-based computational grid — Nov 28, 2014 4:49:05 PM
Prof. Michael Massiah Seminar — Oct 13, 2014 3:10:43 PM
Work on HIV protease inhibition accepted for publication — Sep 25, 2014 5:30:46 PM
Biochemistry Seminar at CUNY City College — Sep 25, 2014 5:23:28 PM
Paper on Classroom Binding Experiment Accepted for Publication in JCAMD — Sep 5, 2014 3:32:32 PM
NSF Research Award! — Aug 2, 2014 9:55:49 AM
Presentation at the Workshop on Free Energy Methods in Drug Design - Boston May 19-21, 2014 — May 30, 2014 6:32:07 PM
Presentation at Brooklyn College Science Retreat - May 16th, 2014 — May 30, 2014 6:17:44 PM
Presentation at George Washington University, DC, on April 4th 2014 — Apr 10, 2014 12:33:09 AM
Presentation at Spring 2014 ACS Meeting in Dallas — Mar 21, 2014 8:58:28 PM
SAMPL4 HIV Integrase Paper Published Online — Feb 15, 2014 7:37:43 PM
SAMPL4 HIV Integrase Paper Accepted for Publication — Jan 26, 2014 3:08:56 AM
SAMPL4 Binding Blind Challenge — Nov 24, 2013 4:32:24 PM
Postdoctoral Position Posted — Aug 28, 2013 3:13:13 AM
Postdoctoral Position Update — Aug 11, 2013 9:57:44 AM
Postdoctoral Position Available — Apr 27, 2013 8:57:30 PM
Starting at Brooklyn College! — Apr 27, 2013 8:55:23 PM