LOCUS PHARMACEUTICALS, INC. Patent applications |
Patent application number | Title | Published |
20140187529 | AMINOPYRAZINE COMPOUNDS - A compound of formula (I): | 07-03-2014 |
20120232054 | PYRROLOTRIAZINE COMPOUNDS - A compound of formula (I): | 09-13-2012 |
20100041642 | UREA INHIBITORS OF MAP KINASES - Urea containing compounds that inhibit MAP kinases, pharmaceutical compositions including such compounds and methods for using these compounds to treat inflammatory diseases and cancer are described herein. | 02-18-2010 |
20090299647 | METHOD, SYSTEM, AND COMPUTER PROGRAM PRODUCT FOR IDENTIFYING BINDING CONFORMATIONS OF CHEMICAL FRAGMENTS AND BIOLOGICAL MOLECULES - A new approach to identifying binding conformations of chemical fragments and biological molecules is presented, in which fragment poses are explored in a systematic fashion. In an embodiment, for each pose, a fast computation is performed of the fragment interaction with the biological molecule using interpolation on a grid. Once the energies of fragment poses are computed, thermodynamical quantities such as binding affinity, binding enthalpy, and binding entropy are computed by direct sum over fragment poses. Using the present invention, it is possible to navigate fragment configuration space to identify separate binding modes. The present invention can be used to scan an entire biological molecule to identify possible binding pockets, or it can be used for localized explorations limited to interesting areas of known binding pockets. | 12-03-2009 |
20090171642 | METHODS AND SYSTEMS FOR IMPROVING FREE ENERGY ESTIMATION OF FRAGMENTS - Methods and systems for estimating the free energy of molecules from a plurality of fragments are disclosed. A number of poses for each fragment in an unbound state and a sum of the free energy values for each fragment may be determined. A number of acceptable poses for each of a plurality of fragments when bound may also be determined. An entropy loss may be estimated based on at least the number of acceptable poses for each of the plurality of fragments when bound and the number of poses for each fragment in an unbound state. A free energy value may be determined for the plurality of fragments when bound based on the entropy loss. | 07-02-2009 |
20090094012 | METHODS AND SYSTEMS FOR GRAND CANONICAL COMPETITIVE SIMULATION OF MOLECULAR FRAGMENTS - Methods and systems for analyzing a macromolecule for potential binding sites are disclosed. Multiple molecular species and a free energy value may be selected. An operation for a molecular fragment of one of the molecular species may be selected from insertion, deletion and movement operations. The selected operation may be performed on a computer representation of an instance of a molecular fragment at one of a plurality of binding sites based on a grand canonical ensemble probability density function associated with the selected operation. Information may be stored pertaining to the plurality of binding sites. The operation selecting, performing and information storing operations may be performed multiple times. Multiple occupation probabilities may be provided based on the stored information. The occupation probabilities may include, for each molecular species, a probability that an instance of a molecular fragment of the molecular species resides at a binding site. | 04-09-2009 |
20090093479 | ANTI-CANCER AGENTS AND USES THEREOF - The present invention is in the area of novel compounds and salts thereof, their syntheses, and their use as anti-cancer agents. The compounds include compounds of Formula I: | 04-09-2009 |
20080280891 | Anti-cancer agents and uses thereof - The present invention is in the area of novel compounds and salts thereof, their syntheses, and their use as anti-cancer agents. The compounds include compounds of Formula I: | 11-13-2008 |