GENESIS 1.1: A hybrid‐parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms - Kobayashi - 2017 - Journal of Computational Chemistry - Wiley Online Library
Double Arylation of the Indole Side Chain of Tri- and Tetrapodal Tryptophan Derivatives Renders Highly Potent HIV-1 and EV-A71 Entry Inhibitors | Journal of Medicinal Chemistry
Frontiers | In vitro Evaluation of Programmed Cell Death in the Immune System of Pacific Oyster Crassostrea gigas by the Effect of Marine Toxins
Double Arylation of the Indole Side Chain of Tri- and Tetrapodal Tryptophan Derivatives Renders Highly Potent HIV-1 and EV-A71 Entry Inhibitors | Journal of Medicinal Chemistry
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Pharmaceuticals | Free Full-Text | Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors
![Laplacian score and genetic algorithm based automatic feature selection for Markov State Models in adaptive sampling based molecular dynamics [PeerJ]](https://dfzljdn9uc3pi.cloudfront.net/2020/pchem-9/1/fig-3-full.png "Laplacian score and genetic algorithm based automatic feature selection for Markov State Models in adaptive sampling based molecular dynamics [PeerJ]")
Laplacian score and genetic algorithm based automatic feature selection for Markov State Models in adaptive sampling based molecular dynamics [PeerJ]
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Pharmaceuticals | Free Full-Text | Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors
GENESIS 1.1: A hybrid‐parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms - Kobayashi - 2017 - Journal of Computational Chemistry - Wiley Online Library
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Pharmaceuticals | Free Full-Text | Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors
Pharmaceuticals | Free Full-Text | Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors
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M E R C Y C O R P S
Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies | ACS Omega
Acceleration of cryo-EM Flexible Fitting for Large Biomolecular Systems by Efficient Space Partitioning - ScienceDirect
Double Arylation of the Indole Side Chain of Tri- and Tetrapodal Tryptophan Derivatives Renders Highly Potent HIV-1 and EV-A71 Entry Inhibitors | Journal of Medicinal Chemistry
