Michael K Gilson
University of California, San Diego
H-index: 85
North America-United States
Top articles of Michael K Gilson
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the 2nd–Generation Mining Minima Method
2024/3/29
Michael K Gilson
H-Index: 46
Free Energy Density of a Fluid and Its Role in Solvation and Binding
Journal of Chemical Theory and Computation
2024/3/27
Michael K Gilson
H-Index: 46
BAT2: An open-source tool for flexible, automated and low cost absolute binding free energy calculations
2024/2/20
MFBind: a Multi-Fidelity Approach for Evaluating Drug Compounds in Practical Generative Modeling
arXiv preprint arXiv:2402.10387
2024/2/16
Development and benchmarking of a self-consistent force field for proteins and small molecules from open force field
Biophysical Journal
2024/2/8
Trevor Gokey
H-Index: 5
Jeffrey Wagner
H-Index: 8
Lily Wang
H-Index: 13
Daniel J Cole
H-Index: 18
Michael K Gilson
H-Index: 46
A fast, convenient, polarizable electrostatic model for molecular dynamics
Journal of Chemical Theory and Computation
2024/1/19
Michael K Gilson
H-Index: 46
Computational architecture to generate representations of molecules having targeted properties
2024/1/4
Host–guest systems for the SAMPL9 blinded prediction challenge: phenothiazine as a privileged scaffold for binding to cyclodextrins
Physical Chemistry Chemical Physics
2024
Brenda Andrade
H-Index: 4
Michael K Gilson
H-Index: 46
Structure‐Activity Relationships, Tolerability and Efficacy of Microtubule‐Active 1,2,4‐Triazolo[1,5‐a]pyrimidines as Potential Candidates to Treat Human African …
ChemMedChem
2023/10/17
Development and benchmarking of open force field 2.0. 0: the Sage small molecule force field
Journal of chemical theory and computation
2023/5/11
Development of Potent and Highly Selective Epoxyketone‐Based Plasmodium Proteasome Inhibitors
Chemistry–A European Journal
2023/4/6
Structure-based experimental datasets for benchmarking of protein simulation force fields
2023/3/2
David A Case
H-Index: 58
Kresten Lindorff-Larsen
H-Index: 38
Paul Robustelli
H-Index: 12
Michael K Gilson
H-Index: 46
Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative
Biophysical Journal
2023/2/10
Simon Boothroyd
H-Index: 3
Jeffrey Wagner
H-Index: 8
Lily Wang
H-Index: 13
Daniel J Cole
H-Index: 18
Michael K Gilson
H-Index: 46
The temperature-dependence of host–guest binding thermodynamics: experimental and simulation studies
Chemical Science
2023
Tuning Potential Functions to Host–Guest Binding Data
Journal of Chemical Theory and Computation
2023/12/26
Jeffry Setiadi
H-Index: 3
Simon Boothroyd
H-Index: 3
Lee-Ping Wang
H-Index: 27
Michael K Gilson
H-Index: 46
Target-Free Compound Activity Prediction via Few-Shot Learning
arXiv preprint arXiv:2311.16328
2023/11/27
Michael K Gilson
H-Index: 46
Rose Yu
H-Index: 17
Binding of Phenothiazine Drugs to Heptakis-Methylated β-Cyclodextrin Derivatives: Thermodynamics and Structure
2023/11/8
Brenda Andrade
H-Index: 4
Michael K Gilson
H-Index: 46
Front Cover: Structure‐Activity Relationships, Tolerability and Efficacy of Microtubule‐Active 1,2,4‐Triazolo[1,5‐a]pyrimidines as Potential Candidates to Treat …
ChemMedChem
2023/10/17
Target-Free Ligand Scoring via One-Shot Learning
2022/9/29
Michael K Gilson
H-Index: 46
Rose Yu
H-Index: 17
Absolute binding free energy calculations improve enrichment of actives in virtual compound screening
Scientific Reports
2022
Co-Authors
