Optimizing Successful Outcomes for Repurposing Existing Pharmaceutical Compounds

Leveraging genomic, phenotypic and pharmacological data to cure disease

System and method for computing drug controlled release performance using images

Mechanistic Predictive Model Of Pharmacokinetic Profile Of Oral Compounds In Fasted And Fed State

Methods and systems for calculating free energy differences using an alchemical restraint potential

REALIZATION METHOD FOR COMPUTER-AIDED SCREENING OF SMALL MOLECULE COMPOUND TARGET APTAMER

METHOD AND DEVICE FOR CALCULATING BINDING FREE ENERGY, AND PROGRAM

NUCLEAR RECEPTOR SET DOMAIN CONTAINING PROTEIN 2 TRANSITION STATE AND USES THEREOF

Cycle Closure Estimation of Relative Binding Affinities and Errors

Methods of screening

METHODS AND SYSTEMS FOR ORGANIC SOLUTE SAMPLING OF AQUEOUS AND HETEROGENEOUS ENVIRONMENTS

Method for designing compounds and compositions useful for targeting high stoichiometric complexes to treat conditions, including treatment of viruses, bacteria, and cancers having acquired drug resistance

Computational method for classifying and predicting ligand docking conformations

LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM

METHOD FOR BINDING SITE IDENTIFICATION BY MOLECULAR DYNAMICS SIMULATION (SILCS: SITE IDENTIFICATION BY LIGAND COMPETITIVE SATURATION)

Methods and apparatus for double-integration orthogonal space tempering

Computer-assisted modeling for treatment design

DNA methyltransferase 1 transition state structure and uses thereof

METHOD, COMPUTER PROGRAM, VIDEO GAME AND SYSTEM FOR OPTIMIZING A MOLECULE FOR MEDICAL APPLICATIONS

USES OF SYSTEMS WITH DEGREES OF FREEDOM POISED BETWEEN FULLY QUANTUM AND FULLY CLASSICAL STATES

BRD2 PROTEIN INHIBITOR COMPOUNDS AND USES THEREOF

Method and system for drug virtual screening and construction of focused screening library

LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES

Reconstruction and simulation of neocortical microcircuitry

DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE

Crystal structure of the large ribosomal subunit from

WATER-SOLUBLE MEMBRANE PROTEINS AND METHODS FOR THE PREPARATION AND USE THEREOF

BINDING ASSAY

SYSTEMS AND METHODS FOR DISCOVERY AND CHARACTERIZATION OF NEUROACTIVE DRUGS

REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY

Method of and apparatus for formulating multicomponent drug

SYSTEM FOR DETERMINING A SUITABILITY OF AN ACTIVE INGREDIENT TO BE APPLIED TRANSDERMALLY OR TRANSMUCOSALLY AND CORRESPONDING METHOD

USING INPUT PROPERTIES AND SYSTEM PROPERTIES TO PREDICT A TIME-DEPENDENT RESPONSE OF A COMPONENT OF A SYSTEM TO AN INPUT INTO THE SYSTEM

STRUCTURE-BASED MODELING AND TARGET-SELECTIVITY PREDICTION

METHODS AND SYSTEMS FOR ORGANIC SOLUTE SAMPLING OF AQUEOUS AND HETEROGENEOUS ENVIRONMENTS

METHODS AND COMPOSITIONS FOR TREATING CANCER

DRUG DISCOVERY METHOD

Drug target site within GP120 of HIV

METHOD AND DEVICE FOR PARTITIONING A MOLECULE

Molecules

Generating drug repositioning hypotheses based on integrating multiple aspects of drug similarity and disease similarity

Method for binding site identification by molecular dynamics simulation (silcs: site identification by ligand competitive saturation)

METHODS FOR ESTABLISHING COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF MEDICAL CONDITIONS

Pharmacogenic therapies targeting the metal-ion transcriptional regulation machinery in bacteria

DRUG IDENTIFICATION MODELS AND METHODS OF USING THE SAME TO IDENTIFY COMPOUNDS TO TREAT DISEASE

Compounds that inhibit human DNA ligases and methods of treating cancer

Collaborative drug discovery system

BIOMARKERS FOR PREDICTING CLINICAL RESPONSE OF CANCER PATIENTS TO TREATMENT WITH IMMUNOTHERAPEUTIC AGENT

Materials and Methods Related to NSAID Chemoprevention in Colorectal Cancer

DESIGNING COMBINATIONS THERAPIES OF NON-INTERACTING DRUGS FOR EVOLUTIONARY DYNAMICS OF DISEASE USING OPTIMAL CONTROL

Method and system for molecular dynamics simulation with stability control

Libraries of compounds having desired properties and methods for making and using them

Data analysis and predictive systems and related methodologies

Methods and Models for Determining Likelihood of Cancer Drug Treatment Success Utilizing Predictor Biomarkers, and Methods of Diagnosing and Treating Cancer Using the Biomarkers

Methods and tools for identification of RSK/MSK kinase inhibitors

COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS

METHODS FOR SAFETY TESTING

Reprogramming effector protein interactions to correct epigenetic defects in cancer

Using input properties and system properties to predict a time-dependent response of a component of a system to an input into the system

SITE-SPECIFIC FRAGMENT IDENTIFICATION GUIDED BY SINGLE-STEP FREE ENERGY PERTURBATION CALCULATIONS

Method and system for predicting spatial and temporal distributions of therapeutic substance carriers

Method for aligning molecules in three dimensions based upon their correspondence to an exemplary template molecule for use in performing 3D QSAR analyses

Method of Binding Site and Binding Energy Determination by Mixed Explicit Solvent Simulations

Crystal of recombinant interferon with altered spatial configuration, three-dimensional structure and uses thereof

Methods for shape comparison between drug molecules

Pharmaceutical compositions and treatment of genetic diseases associated with nonsense mediated RNA decay

Crystal structure

Drug target site within gp120 of HIV

Selection of medicaments that modulate the function and activity of interleukin 13

AI for relating herbal ingredients to illnesses classified in traditional chinese medicine/TCM using probabilities and a relevance index

Crystal structure of glutaminyl cyclase

Mass spectrometry-cleavable cross-linking agents to facilitate structural analysis of proteins and protein complexes, and method of using same

Computing method and computing apparatus

Crystal structure of amino terminal portion of influenza virus polymerase PA subunit and use thereof

Crystal of recombinant interferon with altered spatial configuration, three-dimensional structure and uses thereof

Binding affinity scoring with penalty for breaking conjugation between aromatic ligand groups

Free energy difference estimation method and simulation apparatus

CRYSTAL STRUCTURE

Uses of systems with degrees of freedom poised between fully quantum and fully classical states

Methods for artificial combinatorial control of biological systems

Method of treating cancer by inhibition of protein kinase-like endoplasmic reticulum protein kinase

Drug discovery method

Mode of action screening method

Crystal structure of thyroid stimulating hormone receptor

Estimation of protein-compound interaction and rational design of compound library based on chemical genomic information

Method and system for analysis of compounds

Method and device for partitioning a molecule

Systems and methods for evaluating whether perturbations discriminate an on target effect

Methods of treating acanthamoeba infection using apocynin