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Computational Molecular Biophysics Laboratory PI: Emilio Gallicchio
Home
Research Blog
An SDM Workflow Modified for the SAMPL Challenge
Tackling the GDCC hosts with ATM
Alchemical Transfer Method (ATM) - Tried and Tested
People
Emilio Gallicchio Bio
Publications
JCP2021a
News & Events
Alchemical Transfer Method (ATM) - Tried and Tested
Tackling the GDCC hosts with ATM
A Novel Surface Area Algorithm for GPUs added to OpenMM
A Step Closer to Reliable Modeling of Protein-Peptide Binding
AGBNP3 released
Amédée Des Georges talk on cryoEM-based investigation of protein conformational changes
Announcing ICoMPUte!
Berne's group reunion 2018
Biochemistry Seminar at CUNY City College
BOINC-based computational grid
Bruce Berne to give the 33rd Friedman Lecture at Brooklyn College
CUNY IRG Award!
Daniele Di Marino on the Dimerization of GPCR's
Excellent poster of Rajat Pal at the Spring ACS meeting
Flurry of Papers
IBM World Community Grid adopts BEDAM
Introducing Alchemical Models to Students at Pace University
Journal Cover of Organic & Biomolecular Chemistry
Kevin Ryan (CUNY City College) on how we smell ... molecules
Manuscript on Order/Disorder Transitions in Alchemical Binding Free Energy Calculations
Movie GCN4 Template Replica 11
Naproxen Host-Guest Binding
New Paper on an Analytic Model of Alchemical Molecular Binding
NSF CAREER Award!
NSF Research Award!
NVIDIA Award!
OpenEye COMP Outstanding Junior Faculty Award
Paper on Classroom Binding Experiment Accepted for Publication in JCAMD
Paper on Host-Guest Binding Appears in the Journal of Computer Aided Molecular Design
Postdoctoral Position Available
Postdoctoral Position Posted
Postdoctoral Position Update
Poster on Analytic Model for Molecular Binding at the Fall ACS Meeting in Boston
Posters at ACS Sci-Mix
Presentation at Brooklyn College Science Retreat - May 16th, 2014
Presentation at George Washington University, DC, on April 4th 2014
Presentation at Spring 2014 ACS Meeting in Dallas
Presentation at the Vertex Free Energy Workshop
Presentation at the Workshop on Free Energy Methods in Drug Design - Boston May 19-21, 2014
Presentation on Analytic Model of Binding @CECAM
Presentation on Software & Hardware Technologies at the Spring ACS Meeting in San Diego
Prof. Emilio Gallicchio presents at the Henry Wasser Award ceremony..!!
Prof. Michael Massiah Seminar
Professor Gallicchio is awarded the Henry Wasser Award from CUNY!
Publication on binding free energy study of RNase H inhibitors
Publication on SAMPL5 host-guest blinded challenge
Rajat Pal final PhD thesis defense!
Release of the AGBNP1 OpenMM Plugin for GPUs
Review Paper on Computational Modeling of Protein-Peptide Interactions
SAMPL4 Binding Blind Challenge
SAMPL4 HIV Integrase Paper Accepted for Publication
SAMPL4 HIV Integrase Paper Published Online
SAMPL5 Blinded Challenge
Sci-Mix at Fall ACS Meeting in Boston
Silvia De Rubeis Seminar on Autism
Software Development Research Positions Available
Starting at Brooklyn College!
Emilio Gallicchio receives tenure and promotion to Associate Professor
Talk at the Spring ACS Meeting on Overcoming Order/Disorder Transitions during Alchemical Transformations
Talk at the Structure-Based Drug Discovery Conference (SBDD2019) on Free Energy-Based Virtual Screening
The 2015 OpenMM/AGBNP/BEDAM Mini-Summit
Update on AGBNP2 speed optimization
WEB Lab Computing Grid @Brooklyn College
Work on HIV protease inhibition accepted for publication
Work on protein-peptide binding to appear in Protein Science
A Big Welcome to the New Graduate Students Cohort
Software
ICoMPUte
Computational Molecular Biophysics Laboratory PI: Emilio Gallicchio
Home
Research Blog
An SDM Workflow Modified for the SAMPL Challenge
Tackling the GDCC hosts with ATM
Alchemical Transfer Method (ATM) - Tried and Tested
People
Emilio Gallicchio Bio
Publications
JCP2021a
News & Events
Alchemical Transfer Method (ATM) - Tried and Tested
Tackling the GDCC hosts with ATM
A Novel Surface Area Algorithm for GPUs added to OpenMM
A Step Closer to Reliable Modeling of Protein-Peptide Binding
AGBNP3 released
Amédée Des Georges talk on cryoEM-based investigation of protein conformational changes
Announcing ICoMPUte!
Berne's group reunion 2018
Biochemistry Seminar at CUNY City College
BOINC-based computational grid
Bruce Berne to give the 33rd Friedman Lecture at Brooklyn College
CUNY IRG Award!
Daniele Di Marino on the Dimerization of GPCR's
Excellent poster of Rajat Pal at the Spring ACS meeting
Flurry of Papers
IBM World Community Grid adopts BEDAM
Introducing Alchemical Models to Students at Pace University
Journal Cover of Organic & Biomolecular Chemistry
Kevin Ryan (CUNY City College) on how we smell ... molecules
Manuscript on Order/Disorder Transitions in Alchemical Binding Free Energy Calculations
Movie GCN4 Template Replica 11
Naproxen Host-Guest Binding
New Paper on an Analytic Model of Alchemical Molecular Binding
NSF CAREER Award!
NSF Research Award!
NVIDIA Award!
OpenEye COMP Outstanding Junior Faculty Award
Paper on Classroom Binding Experiment Accepted for Publication in JCAMD
Paper on Host-Guest Binding Appears in the Journal of Computer Aided Molecular Design
Postdoctoral Position Available
Postdoctoral Position Posted
Postdoctoral Position Update
Poster on Analytic Model for Molecular Binding at the Fall ACS Meeting in Boston
Posters at ACS Sci-Mix
Presentation at Brooklyn College Science Retreat - May 16th, 2014
Presentation at George Washington University, DC, on April 4th 2014
Presentation at Spring 2014 ACS Meeting in Dallas
Presentation at the Vertex Free Energy Workshop
Presentation at the Workshop on Free Energy Methods in Drug Design - Boston May 19-21, 2014
Presentation on Analytic Model of Binding @CECAM
Presentation on Software & Hardware Technologies at the Spring ACS Meeting in San Diego
Prof. Emilio Gallicchio presents at the Henry Wasser Award ceremony..!!
Prof. Michael Massiah Seminar
Professor Gallicchio is awarded the Henry Wasser Award from CUNY!
Publication on binding free energy study of RNase H inhibitors
Publication on SAMPL5 host-guest blinded challenge
Rajat Pal final PhD thesis defense!
Release of the AGBNP1 OpenMM Plugin for GPUs
Review Paper on Computational Modeling of Protein-Peptide Interactions
SAMPL4 Binding Blind Challenge
SAMPL4 HIV Integrase Paper Accepted for Publication
SAMPL4 HIV Integrase Paper Published Online
SAMPL5 Blinded Challenge
Sci-Mix at Fall ACS Meeting in Boston
Silvia De Rubeis Seminar on Autism
Software Development Research Positions Available
Starting at Brooklyn College!
Emilio Gallicchio receives tenure and promotion to Associate Professor
Talk at the Spring ACS Meeting on Overcoming Order/Disorder Transitions during Alchemical Transformations
Talk at the Structure-Based Drug Discovery Conference (SBDD2019) on Free Energy-Based Virtual Screening
The 2015 OpenMM/AGBNP/BEDAM Mini-Summit
Update on AGBNP2 speed optimization
WEB Lab Computing Grid @Brooklyn College
Work on HIV protease inhibition accepted for publication
Work on protein-peptide binding to appear in Protein Science
A Big Welcome to the New Graduate Students Cohort
Software
ICoMPUte
More
Home
Research Blog
An SDM Workflow Modified for the SAMPL Challenge
Tackling the GDCC hosts with ATM
Alchemical Transfer Method (ATM) - Tried and Tested
People
Emilio Gallicchio Bio
Publications
JCP2021a
News & Events
Alchemical Transfer Method (ATM) - Tried and Tested
Tackling the GDCC hosts with ATM
A Novel Surface Area Algorithm for GPUs added to OpenMM
A Step Closer to Reliable Modeling of Protein-Peptide Binding
AGBNP3 released
Amédée Des Georges talk on cryoEM-based investigation of protein conformational changes
Announcing ICoMPUte!
Berne's group reunion 2018
Biochemistry Seminar at CUNY City College
BOINC-based computational grid
Bruce Berne to give the 33rd Friedman Lecture at Brooklyn College
CUNY IRG Award!
Daniele Di Marino on the Dimerization of GPCR's
Excellent poster of Rajat Pal at the Spring ACS meeting
Flurry of Papers
IBM World Community Grid adopts BEDAM
Introducing Alchemical Models to Students at Pace University
Journal Cover of Organic & Biomolecular Chemistry
Kevin Ryan (CUNY City College) on how we smell ... molecules
Manuscript on Order/Disorder Transitions in Alchemical Binding Free Energy Calculations
Movie GCN4 Template Replica 11
Naproxen Host-Guest Binding
New Paper on an Analytic Model of Alchemical Molecular Binding
NSF CAREER Award!
NSF Research Award!
NVIDIA Award!
OpenEye COMP Outstanding Junior Faculty Award
Paper on Classroom Binding Experiment Accepted for Publication in JCAMD
Paper on Host-Guest Binding Appears in the Journal of Computer Aided Molecular Design
Postdoctoral Position Available
Postdoctoral Position Posted
Postdoctoral Position Update
Poster on Analytic Model for Molecular Binding at the Fall ACS Meeting in Boston
Posters at ACS Sci-Mix
Presentation at Brooklyn College Science Retreat - May 16th, 2014
Presentation at George Washington University, DC, on April 4th 2014
Presentation at Spring 2014 ACS Meeting in Dallas
Presentation at the Vertex Free Energy Workshop
Presentation at the Workshop on Free Energy Methods in Drug Design - Boston May 19-21, 2014
Presentation on Analytic Model of Binding @CECAM
Presentation on Software & Hardware Technologies at the Spring ACS Meeting in San Diego
Prof. Emilio Gallicchio presents at the Henry Wasser Award ceremony..!!
Prof. Michael Massiah Seminar
Professor Gallicchio is awarded the Henry Wasser Award from CUNY!
Publication on binding free energy study of RNase H inhibitors
Publication on SAMPL5 host-guest blinded challenge
Rajat Pal final PhD thesis defense!
Release of the AGBNP1 OpenMM Plugin for GPUs
Review Paper on Computational Modeling of Protein-Peptide Interactions
SAMPL4 Binding Blind Challenge
SAMPL4 HIV Integrase Paper Accepted for Publication
SAMPL4 HIV Integrase Paper Published Online
SAMPL5 Blinded Challenge
Sci-Mix at Fall ACS Meeting in Boston
Silvia De Rubeis Seminar on Autism
Software Development Research Positions Available
Starting at Brooklyn College!
Emilio Gallicchio receives tenure and promotion to Associate Professor
Talk at the Spring ACS Meeting on Overcoming Order/Disorder Transitions during Alchemical Transformations
Talk at the Structure-Based Drug Discovery Conference (SBDD2019) on Free Energy-Based Virtual Screening
The 2015 OpenMM/AGBNP/BEDAM Mini-Summit
Update on AGBNP2 speed optimization
WEB Lab Computing Grid @Brooklyn College
Work on HIV protease inhibition accepted for publication
Work on protein-peptide binding to appear in Protein Science
A Big Welcome to the New Graduate Students Cohort
Software
ICoMPUte
ICoMPUte
The Interdisciplinary Computation & Modeling research Program for Undergraduate students (
ICoMPUte
)
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