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Toxins
|
April 3, 2021
Potency-Enhancing Mutations of Gating Modifier Toxins for the Voltage-Gated Sodium Channel Na<sub>V</sub>1.7 Can Be Predicted Using Accurate Free-Energy Calculations
Dana Katz, Dan Sindhikara, Michael DiMattia, et al.
Toxins
|
October 15, 2020
Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels
Binita Shah, Dan Sindhikara, Ken Borrelli, et al.
Marine Drugs
|
July 2, 2021
Potency- and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations
Dana Katz, Michael A DiMattia, Dan Sindhikara, et al.
Plos Computational Biology
|
March 3, 2022
How does a small molecule bind at a cryptic binding site?
Yibing Shan, Venkatesh P Mysore, Abba E Leffler, et al.
Science (New York, N.Y.)
|
April 14, 2012
Mechanism of voltage gating in potassium channels
Morten Ø Jensen, Vishwanath Jogini, David W Borhani, et al.
Journal of Chemical Information and Modeling
|
January 16, 2026
Prediction of Atropisomerism for Drug-like Molecules
Ty Balduf, Philip A Gerken, Mee Y Shelley, et al.
Journal of Chemical Information and Modeling
|
April 13, 2022
AutoDesigner, a <i>De Novo</i> Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase Inhibitors
Pieter H Bos, Evelyne M Houang, Fabio Ranalli, et al.
ACS Chemical Neuroscience
|
December 5, 2023
Basic Residues at Position 11 of α-Conotoxin LvIA Influence Subtype Selectivity between α3β2 and α3β4 Nicotinic Receptors via an Electrostatic Mechanism
Yves Haufe, Veeresh Kuruva, Ziyana Samanani, et al.
The Journal of Neuroscience : the Official Journal of the Society for Neuroscience
|
March 3, 2006
Estrogen alters spine number and morphology in prefrontal cortex of aged female rhesus monkeys
Jiandong Hao, Peter R Rapp, Abba E Leffler, et al.
ACS Medicinal Chemistry Letters
|
March 19, 2025
Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations
Abba E Leffler, Evelyne M Houang, Felicia Gray, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Toxins
|
April 3, 2021
Potency-Enhancing Mutations of Gating Modifier Toxins for the Voltage-Gated Sodium Channel Na<sub>V</sub>1.7 Can Be Predicted Using Accurate Free-Energy Calculations
Dana Katz, Dan Sindhikara, Michael DiMattia, et al.
Toxins
|
October 15, 2020
Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels
Binita Shah, Dan Sindhikara, Ken Borrelli, et al.
Marine Drugs
|
July 2, 2021
Potency- and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations
Dana Katz, Michael A DiMattia, Dan Sindhikara, et al.
Plos Computational Biology
|
March 3, 2022
How does a small molecule bind at a cryptic binding site?
Yibing Shan, Venkatesh P Mysore, Abba E Leffler, et al.
Science (New York, N.Y.)
|
April 14, 2012
Mechanism of voltage gating in potassium channels
Morten Ø Jensen, Vishwanath Jogini, David W Borhani, et al.
Journal of Chemical Information and Modeling
|
January 16, 2026
Prediction of Atropisomerism for Drug-like Molecules
Ty Balduf, Philip A Gerken, Mee Y Shelley, et al.
Journal of Chemical Information and Modeling
|
April 13, 2022
AutoDesigner, a <i>De Novo</i> Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase Inhibitors
Pieter H Bos, Evelyne M Houang, Fabio Ranalli, et al.
ACS Chemical Neuroscience
|
December 5, 2023
Basic Residues at Position 11 of α-Conotoxin LvIA Influence Subtype Selectivity between α3β2 and α3β4 Nicotinic Receptors via an Electrostatic Mechanism
Yves Haufe, Veeresh Kuruva, Ziyana Samanani, et al.
The Journal of Neuroscience : the Official Journal of the Society for Neuroscience
|
March 3, 2006
Estrogen alters spine number and morphology in prefrontal cortex of aged female rhesus monkeys
Jiandong Hao, Peter R Rapp, Abba E Leffler, et al.
ACS Medicinal Chemistry Letters
|
March 19, 2025
Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations
Abba E Leffler, Evelyne M Houang, Felicia Gray, et al.
Page
of 2