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Self-Assembly of Calcium Carbonate Nanoparticles in Water and Hydrophobic Solvents
Online Contents | 2014| -
Strategies to Calculate Water Binding Free Energies in Protein–Ligand Complexes
Online Contents | 2014| -
Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo
American Chemical Society | 2015| -
Lowering Lipophilicity by Adding Carbon: AzaSpiroHeptanes, a logD Lowering Twist
American Chemical Society | 2019| -
Strategies to Calculate Water Binding Free Energies in Protein–Ligand Complexes
American Chemical Society | 2014| -
Lowering Lipophilicity by Adding Carbon: One-Carbon Bridges of Morpholines and Piperazines
American Chemical Society | 2018| -
Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo
British Library Online Contents | 2015| -
Self-Assembly of Calcium Carbonate Nanoparticles in Water and Hydrophobic Solvents
American Chemical Society | 2014| -
Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study
American Chemical Society | 2013| -
A molecular dynamics study of CaCO3 nanoparticles in a hydrophobic solvent with a stearate co-surfactant
National licenceRoyal Society of Chemistry | 2015| -
Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo
Free accessBASE | 2022|Contributors: Bodnarchuk, Michael S. -
Sensitivity of Binding Free Energy Calculations to Initial Protein Crystal Structure
American Chemical Society | 2021| -
Drugging the undruggable: a computational chemist's view of KRASG12C
Royal Society of Chemistry | 2021| -
Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo
Free accessAmerican Chemical Society | 2022| -
Response of Calcium Carbonate Nanoparticles in Hydrophobic Solvent to Pressure, Temperature, and Water
American Chemical Society | 2015| -
Polyelectrolyte pKa from experiment and molecular dynamics simulation
Free accessRoyal Society of Chemistry | 2017| -
Enhancing torsional sampling using fully adaptive simulated tempering
Free accessAmerican Institute of Physics | 2024| -
DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines
American Chemical Society | 2019|
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