I agree that this site is using cookies. You can find further informations
here
.
X
Login
My folder (
0
)
Home
About us
Home About us
Our history
Profile
Press & public relations
Friends
The library in figures
Exhibitions
Projects
Training, internships, careers
Films
Services & Information
Home Services & Information
Lending and interlibrary loans
Returns and renewals
Training and library tours
My Account
Library cards
New to the library?
Download Information
Opening hours
Learning spaces
PC, WLAN, copy, scan and print
Catalogs and collections
Home Catalogs and Collections
Rare books and manuscripts
Digital collections
Subject Areas
Our sites
Home Our sites
Central Library
Law Library (Juridicum)
BB Business and Economics (BB11)
BB Physics and Electrical Engineering
TB Engineering and Social Sciences
TB Economics and Nautical Sciences
TB Music
TB Art & Design
TB Bremerhaven
Contact the library
Home Contact the library
Staff Directory
Open access & publishing
Home Open access & publishing
Reference management: Citavi & RefWorks
Publishing documents
Open Access in Bremen
Show Desktop-Version
Toggle navigation
Chodera, John
555
results:
Search for persons
X
Format
Online (555)
Mediatypes
Articles (Online) (117)
OpenAccess-fulltext (438)
Sorted by: Relevance
Sorted by: Year
?
1
An efficient protocol for accurately triaging molecules in ..:
Payne, Alexander M.
;
Kaminow, Benjamin
;
Chodera, John D.
Biophysical Journal. 123 (2024) 3 - p. 471a , 2024
Link:
https://doi.org/10.1016/..
?
2
Enhancing Protein–Ligand Binding Affinity Predictions Using..:
Sabanés Zariquiey, Francesc
;
Galvelis, Raimondas
;
Gallicchio, Emilio
...
Journal of Chemical Information and Modeling. 64 (2024) 5 - p. 1481-1485 , 2024
Link:
https://doi.org/10.1021/..
?
3
Development and benchmarking of a self-consistent force fie..:
Cavender, Chapin E.
;
Behara, Pavan K.
;
Dotson, David L.
...
Biophysical Journal. 123 (2024) 3 - p. 421a , 2024
Link:
https://doi.org/10.1016/..
?
4
EspalomaCharge: Machine Learning-Enabled Ultrafast Partial ..:
Wang, Yuanqing
;
Pulido, Iván
;
Takaba, Kenichiro
...
The Journal of Physical Chemistry A. 128 (2024) 20 - p. 4160-4167 , 2024
Link:
https://doi.org/10.1021/..
?
5
Machine-learned molecular mechanics force fields from large..:
Takaba, Kenichiro
;
Friedman, Anika J.
;
Cavender, Chapin E.
...
Chemical Science. 15 (2024) 32 - p. 12861-12878 , 2024
Link:
https://doi.org/10.1039/..
?
6
Open science discovery of potent noncovalent SARS-CoV-2 mai..:
Boby, Melissa L.
;
Fearon, Daren
;
Ferla, Matteo
...
Science. 382 (2023) 6671 - p. , 2023
Link:
https://doi.org/10.1126/..
?
7
Development and Benchmarking of Open Force Field 2.0.0: The..:
Boothroyd, Simon
;
Behara, Pavan Kumar
;
Madin, Owen C.
...
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3251-3275 , 2023
Link:
https://doi.org/10.1021/..
?
8
SPICE, A Dataset of Drug-like Molecules and Peptides for Tr..:
Eastman, Peter
;
Behara, Pavan Kumar
;
Dotson, David L.
...
Scientific Data. 10 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
9
Death by a thousand cuts through kinase inhibitor combinati..:
Outhwaite, Ian R
;
Singh, Sukrit
;
Berger, Benedict-Tilman
...
eLife. 12 (2023) - p. , 2023
Link:
https://doi.org/10.7554/..
?
10
MEN1 mutations mediate clinical resistance to menin inhibit..:
Perner, Florian
;
Stein, Eytan M.
;
Wenge, Daniela V.
...
Nature. 615 (2023) 7954 - p. 913-919 , 2023
Link:
https://doi.org/10.1038/..
?
11
Turning high-throughput structural biology into predictive ..:
Saar, Kadi L.
;
McCorkindale, William
;
Fearon, Daren
...
Proceedings of the National Academy of Sciences. 120 (2023) 11 - p. , 2023
Link:
https://doi.org/10.1073/..
?
12
NNP/MM: Accelerating Molecular Dynamics Simulations with Ma..:
Galvelis, Raimondas
;
Varela-Rial, Alejandro
;
Doerr, Stefan
...
Journal of Chemical Information and Modeling. 63 (2023) 18 - p. 5701-5708 , 2023
Link:
https://doi.org/10.1021/..
?
13
OpenMM 8: Molecular Dynamics Simulation with Machine Learni..:
Eastman, Peter
;
Galvelis, Raimondas
;
Peláez, Raúl P.
...
The Journal of Physical Chemistry B. 128 (2023) 1 - p. 109-116 , 2023
Link:
https://doi.org/10.1021/..
?
14
Development and benchmarking of an open, self-consistent fo..:
Cavender, Chapin E.
;
Behara, Pavan K.
;
Boothroyd, Simon
...
Biophysical Journal. 122 (2023) 3 - p. 421a , 2023
Link:
https://doi.org/10.1016/..
?
15
Identifying and Overcoming the Sampling Challenges in Relat..:
Zhang, Ivy
;
Rufa, Dominic A.
;
Pulido, Iván
...
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/..
1-15