PRESENTATION

ACS COMP Awards

Aug 24, 11:30 PM – Aug 25, 01:30 AM CUT
Zoom Room 10, Virtual Room
Chaired by Maria Nagan, , and 1 other

No video is available

Visit the full submission

A complete thermodynamic picture of allosteric activation and inhibition in liver pyruvate kinase

MM
Martin McCullagh
Department of ChemistryOklahoma State University

Speakers

AM

Arkajit Mandal

This user has a private profile.

BF

Bryan Fales

This user has a private profile.

CL

Croix Laconsay

Chemistry

University of California, Davis

FD

Fernanda Duarte

This user has a private profile.

HW

Hannah Wayment-Steele

Chemistry

Stanford University

IA

Isuru Ariyarathna

This user has a private profile.

LC

Lorenzo Casalino

This user has a private profile.

MM

Martin McCullagh

This user has a private profile.

MD

Matthew Du

This user has a private profile.

PT

Pratyush Tiwary

This user has a private profile.

YM

Yinglong Miao

Center for Computational Biology

University of Kansas College of Liberal Arts and Sciences

Presentations

Presentations (1/11)

A complete thermodynamic picture of allosteric activation a…
Martin McCullagh

2

Mechanistic interrogation of reactions involving dirhodium …
Croix Laconsay

3

Stabilizing mRNA therapeutics through computational design
Hannah Wayment-Steele

4

Ground and excited electronic structures of metal-ammonia s…
Isuru Ariyarathna

5

Computing binding thermodynamics and kinetics …
Yinglong Miao

6

Efficient strategies to explore chemical reactivity
Fernanda Duarte

7

SGOOP-d: Estimating commute distances and interconversion …
Pratyush Tiwary

8

Nonequilibrium models for thermally activated electron tr…
Matthew Du

9

First principles configuration interaction simulation approac…
Bryan Fales

10

On-the-fly quantum dynamics simulation with quasi-diabatic …
Arkajit Mandal

11

Multiscale modeling and simulations of the SARS-CoV-2 …
Lorenzo Casalino

Powered byMorressier logo black

Discover more research and events on morressier.com