← Leaderboards
Carlos Simmerling
State University New York Stony Brook
$6,133,512
Attributed
$12,283,212
Total exposure
8
Grants
4
Lead (contact PI)
Attributed= this PI's even-split share of every grant they're on (the fair, additive number). Exposure = full size of all those grants.
Funding over time
peak $1.3M · FY2005–24$2M$1.5M$1M$500K$0
'05
'06
'07
'08
'09
'10
'11
'12
'13
'14
'15
'16
'17
'18
'19
'20
'21
'22
'23
'24
Funding mix
By agency
NIH$12,283,212 · 8
By mechanism
R01$6,312,673 · 3
RM1$5,799,588 · 1
R43$167,551 · 1
P41$3,400 · 3
Top collaborators
- Evangelos A. Coutsias5 shared
- Kenneth A Dill5 shared
- Christopher Joseph Fennell5 shared
- Dmytro Kozakov5 shared
- Thomas E. Cheatham4 shared
- Kathleen B Hall4 shared
- Ruibin Liu1 shared
- Jana Shen1 shared
Most similar at State University New York Stony Brook
Same institution · by research overlap
- Christopher Joseph Fennell$1,159,918
- Robert C. Rizzo$7,144,550
- Carol A Carter$8,806,806
Others in their field
Top investigators on “Solvents”
- Nicholas Hud · Emory University$20,320,616
- Ronald Levy · Columbia Univ New York Morningside$9,023,159
- John Robert Yates · Scripps Research Institute, The$8,791,605
- Michael K. Gilson · University Of Md Biotechnology Institute$7,641,593
- Alexandros Makriyannis · University Of Connecticut Storrs$7,620,056
- Elan D Louis · Ut Southwestern Medical Center$7,326,115
Research focus
SolventsSimulationProteinsPropertyBaseMolecular ConformationComputer SimulationBiologicalCommunitiesComplexAdoptedDesignPharmaceutical PreparationsSamplingProtein Protein InteractionWaterAmberSiteProgramsMolecular DynamicsPublishingStructureHybridsGene Expression
Grant awards (31)
Solvation modeling for next-gen biomolecule simulations$1,224,745
RM1 · FY2024 · GM
Solvation modeling for next-gen biomolecule simulations$1,262,138
RM1 · FY2023 · GM
Solvation modeling for next-gen biomolecule simulations$1,224,473
RM1 · FY2022 · GM
Solvation modeling for next-gen biomolecule simulations$1,128,699
RM1 · FY2021 · GM
Solvation modeling for next-gen biomolecule simulations$959,533
RM1 · FY2020 · GM
New Solvent Models, Sampling Methods and Maintenance of Amber Software$304,157
R01 · FY2020 · GM · contact PI
New Solvent Models, Sampling Methods and Maintenance of Amber Software$304,157
R01 · FY2019 · GM · contact PI
A Cloud-Based Web Application to Accelerate Targeted Covalent Drug Discovery$167,551
R43 · FY2019 · GM
New Solvent Models, Sampling Methods and Maintenance of Amber Software$304,157
R01 · FY2018 · GM · contact PI
New Solvent Models, Sampling Methods and Maintenance of Amber Software$303,282
R01 · FY2017 · GM · contact PI
New solvent models, sampling methods and maintenance of Amber software$298,354
R01 · FY2016 · GM · contact PI
New solvent models, sampling methods and maintenance of Amber software$298,354
R01 · FY2015 · GM · contact PI
RNA-ligand interactions: simulation and experiment$524,774
R01 · FY2014 · GM
New solvent models, sampling methods and maintenance of Amber software$298,354
R01 · FY2014 · GM · contact PI
RNA-ligand interactions: simulation and experiment$505,089
R01 · FY2013 · GM
New solvent models, sampling methods and maintenance of Amber software$297,420
R01 · FY2013 · GM · contact PI
RNA-ligand interactions: simulation and experiment$507,281
R01 · FY2012 · GM
RNA-ligand interactions: simulation and experiment$560,349
R01 · FY2011 · GM
Computational Studies of Model Systems for Protein Unfolded States$226,229
R01 · FY2009 · GM · contact PI
Computational Studies of Model Systems for Protein Unfolded States$221,020
R01 · FY2008 · GM · contact PI
Computational Studies of Model Systems for Protein Unfolded States$221,020
R01 · FY2007 · GM · contact PI
IMPROVING BIOMOLECULAR SIMULATIONS: ENERGY FUNCTIONS AND CONFORMATIONAL SAMPLIN$297
P41 · FY2007 · RR · contact PI
Computational Studies of Model Systems for Protein Unfolded States$212,820
R01 · FY2006 · GM · contact PI
IMPROVING BIOMOLECULAR SIMULATIONS: ENERGY FUNCTIONS AND CONFORMATIONAL SAMPLIN$1,012
P41 · FY2006 · RR · contact PI
IMPROVING BIOMOLECULAR SIMULATIONS: ENERGY FUNCTIONS AND CONFORMATIONAL SAMPLIN$1,028
P41 · FY2005 · RR
ENHANCED MEAN-FIELD SIMULATIONS OF ANTIBODY CDR LOOPS$188,125
R01 · FY2004 · GM
Improving Biomolecular Simulations: Energy Functions and Conformational Samplin$1,063
P41 · FY2004 · RR
ENHANCED MEAN-FIELD SIMULATIONS OF ANTIBODY CDR LOOPS$188,125
R01 · FY2003 · GM
ENHANCED MEAN-FIELD SIMULATIONS OF ANTIBODY CDR LOOPS$188,125
R01 · FY2002 · GM
ENHANCED MEAN-FIELD SIMULATIONS OF ANTIBODY CDR LOOPS$188,125
R01 · FY2001 · GM
ENHANCED MEAN-FIELD SIMULATIONS OF ANTIBODY CDR LOOPS$173,356
R01 · FY2000 · GM