Top Tweets for #DruDe
PRB Editors' Suggestion: #Quantum geometric bounds for observables: Linear responses, #Drude weight, and #OrbitalMagnetization
Koki Shinada and Naoto Nagaosa
Phys. Rev. B 112, 155158
➡️ https://t.co/vrS2MiraGf
#EdSugg @APSPhysics #physics #condmat
We are excited to have @alex_mackerell this month for our Integrative Modeling in Biophysics e-series!! It’s all about polarizable force field next week. #drude
Tues March 11, 5:30 PM IST (2:00 CEST, 7:00 AM USET) For details about this series, visit: https://t.co/NMKlvWGvpN
Congratulations to Dr. @jmaemontgomery! A successful defense and PhD #3 from the #LemkulLab. Julia did a great job with challenging membrane systems and shared her intriguing results using the #Drude FF. #compchem
Now out in final form, a tour de force from @Halesbaabbyyy in LTR-III dynamics with MD (including GaMD) and the #Drude FF. Free access for 50 days via this link! (Expires 6/4/2024, after that just email me if you need a copy)
https://t.co/hQwt06fVWO
Quantifying Induced Dipole Effects in Small Molecule Permeation in a Model Phospholipid Bilayer https://t.co/cVJ6jYHnI6 #biorxiv_biophys
New paper in @JPhysChem by @SijiaChern on elucidating how electronic polarizability and scaled-charge affect the interface properties of the room temperature ionic liquids. https://t.co/GRTzehH2xR #IonicLiquid #InterfaceChemistry #SurfaceChemistry #ForceFields #Drude #compchem
https://t.co/MLew3l8HI0
Our first foray into deep learning!! Image-based deep neural network model for prediction of antimicrobial peptides. All credits to Poonam Pandey for the work. I think the best part is that we used the #drude polarizable FF atom types for feature encoding.
The new #drude FF is optimized for LJ PME allowing for the use of shorter nonbond real space cutoffs, offering a ~20% speedup for all aspects of the FF. LJPME may also be used with the additive C36m. See @GMX_TWEET @openmm_toolkit and #charmm. 10.1021/acs.jctc.0c01326
Our paper of the Drude2023 lipid force field is finally here! It would be a great tool to study membrane permeability and polarization effects involving biomembranes! With @alex_mackerell, Benoit Roux, Jeff Klauda and Rich Pastor. #charmm https://t.co/2URSFlHj0u
Some good news on a Friday afternoon! I am proud and humbled to announce that my promotion to associate professor with tenure has been approved by the Provost and President.
Getting the balance of the ion-water, ion-ion, ion-protein interactions is a major challenge for FFs and subtle imbalances can significantly impact outcomes. Comprehensive optimization of ion parameters in the context of polarizable FFs offers hope; #Drude
@DelemotteLab Very interesting work @DelemotteLab !! I must say that I am a bit surprised to see force-field dependent differences in the mechanism.
For anyone heading to #ACSSpring2023, don't miss presentations by @mdpoleto on active-site electric fields of PETase enzymes with the #Drude FF!
Platform presentation 3/26 9:55-10:10 AM, room 233
Sci-Mix poster #1010 3/27 8:00-10:00 PM, hall F-H
Last Seen Hashtags on Sotwe
dabishoto
Seen from United States
ลักหลับชายแท้
Seen from Thailand
ปล่อยคลิปหลุด
Seen from Thailand
cuckoldçiftler
Seen from Switzerland
LisaAnn
Seen from Turkey
couple #gangbang
Seen from Malaysia
sportygirl
Seen from Turkey
brosis
Seen from Brazil
boat
Seen from Malaysia
anxiouspanda()+filter:native_video
Seen from United States
Trends for you
Most Popular Users
Elon Musk 
@elonmusk
241.5M followers
Barack Obama
@barackobama
118.9M followers
Cristiano Ronaldo
@cristiano
114.6M followers
Donald J. Trump
@realdonaldtrump
111.8M followers
Narendra Modi
@narendramodi
107.1M followers
Rihanna
@rihanna
98.7M followers
NASA
@nasa
92.3M followers
Justin Bieber
@justinbieber
91.8M followers
KATY PERRY
@katyperry
90.1M followers
Taylor Swift
@taylorswift13
84M followers
Lady Gaga
@ladygaga
75.5M followers
Virat Kohli
@imvkohli
73.5M followers
Kim Kardashian
@kimkardashian
70.9M followers
YouTube
@youtube
68.8M followers
Neymar Jr
@neymarjr
66.6M followers
Bill Gates
@billgates
65.3M followers
Selena Gomez
@selenagomez
63.1M followers
The Ellen Show
@theellenshow
62.2M followers
CNN
@cnn
61.7M followers
X
@x
60.7M followers